Chembase list of 866358 unique molecular structures

5,11,12-tris(acetyloxy)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hex...

$$$$ Data

M. F.

C20H16O9

Suppliers	Catalog Number
Matrix Scientific	016571

Database	Data ID
PubChem	345837

M. W.

400.33564

CAS

145386-12-5

Similarity

N/A

ID: 15952

2,3,6,7-tetramethoxy-9,10-dihydroanthracene-9,10-dione

$$$$ Data

M. F.

C18H16O6

Suppliers	Catalog Number
Matrix Scientific	016572

Database	Data ID
PubChem	15557501

M. W.

328.31604

CAS

5629-55-0

Similarity

N/A

ID: 15953

2,3,6,7-tetramethoxynaphthalene

$$$$ Data

M. F.

C14H16O4

Suppliers	Catalog Number
Matrix Scientific	016573

Database	Data ID
PubChem	23334491

M. W.

248.27444

CAS

33033-33-9

Similarity

N/A

ID: 15954

1,5-dibromo-2,6-dimethoxynaphthalene

$$$$ Data

M. F.

C12H10Br2O2

Suppliers	Catalog Number
Matrix Scientific	016574
A&J Pharmtech	AJA-O10459

Database	Data ID
PubChem	631444

M. W.

346.0146

CAS

25315-06-4

Similarity

N/A

ID: 15955

1,2,4,5-tetramethoxybenzene

$$$$ Data

M. F.

C10H14O4

Suppliers	Catalog Number
Matrix Scientific	016575

Database	Data ID
PubChem	97686

M. W.

198.21576

CAS

2441-46-5

Similarity

N/A

ID: 15956

1,2-dibromo-3,4,5,6-tetramethylbenzene

$$$$ Data

M. F.

C10H12Br2

Suppliers	Catalog Number
Alfa Aesar	H33558
Matrix Scientific	016576

Database	Data ID
PubChem	2752606

M. W.

292.01028

CAS

36321-73-0

Similarity

N/A

ID: 15957

1,2-diiodo-3,4,5,6-tetramethylbenzene

$$$$ Data

M. F.

C10H12I2

Suppliers	Catalog Number
Matrix Scientific	016577

Database	Data ID
PubChem	633546

M. W.

386.01122

CAS

5503-82-2

Similarity

N/A

ID: 15958

3,6-dibromonaphthalene-2,7-diol

$$$$ Data

M. F.

C10H6Br2O2

Suppliers	Catalog Number
Matrix Scientific	016579
Apollo Scientific	OR28082
A&J Pharmtech	AJA-O2742

Database	Data ID
PubChem	2795148

M. W.

317.96144

CAS

96965-79-6

Similarity

N/A

ID: 15959

2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Alfa Aesar	B25145
Matrix Scientific	016580

Database	Data ID
PubChem	459085

M. W.

216.23588

CAS

5044-22-4

Similarity

N/A

ID: 15960

2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrole

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Matrix Scientific	016581

Database	Data ID
PubChem	2801654

M. W.

216.23588

CAS

32570-23-3

Similarity

N/A

ID: 15961

1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
Matrix Scientific	016582

Database	Data ID
PubChem	608518

M. W.

201.2643

CAS

5044-27-9

Similarity

N/A

ID: 15962

1-(2-bromo-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole

$$$$ Data

M. F.

C12H11BrFN

Suppliers	Catalog Number
Matrix Scientific	016583

Database	Data ID
PubChem	26188722

M. W.

268.1248432

CAS

Similarity

N/A

ID: 15963

2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole

$$$$ Data

M. F.

C13H15N

Suppliers	Catalog Number
Matrix Scientific	016584
Enamine	EN300-04109

Database	Data ID
PubChem	1908543

M. W.

185.2649

CAS

32411-27-1

Similarity

N/A

ID: 15964

4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)diazen-1-yl]morpholine

$$$$ Data

M. F.

C12H15N3O3

Suppliers	Catalog Number
Matrix Scientific	016585

Database	Data ID
PubChem	26188723

M. W.

249.2658

CAS

Similarity

N/A

ID: 15965

4-[(E)-2-(3-fluorophenyl)diazen-1-yl]morpholine

$$$$ Data

M. F.

C10H12FN3O

Suppliers	Catalog Number
Matrix Scientific	016586

Database	Data ID
PubChem	26188724

M. W.

209.2201832

CAS

Similarity

N/A

ID: 15966

4-[(E)-2-(3-nitrophenyl)diazen-1-yl]morpholine

$$$$ Data

M. F.

C10H12N4O3

Suppliers	Catalog Number
Matrix Scientific	016587

Database	Data ID
PubChem	26188725

M. W.

236.22728

CAS

861095-37-6

Similarity

N/A

ID: 15967

4-[(E)-2-(4-methoxyphenyl)diazen-1-yl]morpholine

$$$$ Data

M. F.

C11H15N3O2

Suppliers	Catalog Number
Matrix Scientific	016588

Database	Data ID
PubChem	15212343

M. W.

221.2557

CAS

51274-58-9

Similarity

N/A

ID: 15968

4-[(E)-2-(4-methyl-2-nitrophenyl)diazen-1-yl]morpholine

$$$$ Data

M. F.

C11H14N4O3

Suppliers	Catalog Number
Matrix Scientific	016589

Database	Data ID
PubChem	26188726

M. W.

250.25386

CAS

883545-66-2

Similarity

N/A

ID: 15969

4-[(E)-2-(4-nitrophenyl)diazen-1-yl]morpholine

$$$$ Data

M. F.

C10H12N4O3

Suppliers	Catalog Number
Matrix Scientific	016590

Database	Data ID
PubChem	280475

M. W.

236.22728

CAS

161265-61-8

Similarity

N/A

ID: 15970

7-bromonaphthalen-2-ol

$$$$ Data More

M. F.

C10H7BrO

Suppliers	Catalog Number
Sigma Aldrich	690244
Matrix Scientific	016591
Bide Pharmatech	BD30366

Database	Data ID
PubChem	613827

M. W.

223.06598

CAS

116230-30-9

Similarity

N/A

ID: 15971

2,3,6,7-tetramethoxynaphthalene-1-carbaldehyde

$$$$ Data

M. F.

C15H16O5

Suppliers	Catalog Number
Matrix Scientific	016592

Database	Data ID
PubChem	26188727

M. W.

276.28454

CAS

33033-34-0

Similarity

N/A

ID: 15972

2,7-dimethoxy-3,6-bis(methylsulfanyl)naphthalene

$$$$ Data

M. F.

C14H16O2S2

Suppliers	Catalog Number
Matrix Scientific	016593

Database	Data ID
PubChem	13530931

M. W.

280.40564

CAS

105404-97-5

Similarity

N/A

ID: 15973

2,7-dimethoxy-3,6-bis(methylselanyl)naphthalene

$$$$ Data

M. F.

C14H16O2Se2

Suppliers	Catalog Number
Matrix Scientific	016594

Database	Data ID
PubChem	13530932

M. W.

374.19564

CAS

105405-00-3

Similarity

N/A

ID: 15974

2,7-dimethoxy-3,6-bis(methyltellanyl)naphthalene

$$$$ Data

M. F.

C14H16O2Te2

Suppliers	Catalog Number
Matrix Scientific	016595

Database	Data ID
PubChem	13530933

M. W.

471.47564

CAS

105405-04-7

Similarity

N/A

ID: 15975

2,6-dimethoxy-3,7-bis(methylsulfanyl)naphthalene

$$$$ Data

M. F.

C14H16O2S2

Suppliers	Catalog Number
Matrix Scientific	016596

Database	Data ID
PubChem	26188728

M. W.

280.40564

CAS

136559-34-7

Similarity

N/A

ID: 15976

2,6-dimethoxy-3,7-bis(methylselanyl)naphthalene

$$$$ Data

M. F.

C14H16O2Se2

Suppliers	Catalog Number
Matrix Scientific	016597

Database	Data ID
PubChem	45075147

M. W.

374.19564

CAS

136559-37-0

Similarity

N/A

ID: 15977

2,6-dimethoxy-3,7-bis(methyltellanyl)naphthalene

$$$$ Data

M. F.

C14H16O2Te2

Suppliers	Catalog Number
Matrix Scientific	016598

Database	Data ID
PubChem	45075148

M. W.

471.47564

CAS

136559-38-1

Similarity

N/A

ID: 15978

2,6-dibromo-1,5-dimethoxynaphthalene

$$$$ Data

M. F.

C12H10Br2O2

Suppliers	Catalog Number
Matrix Scientific	016599
A&J Pharmtech	AJA-O11921

Database	Data ID
PubChem	14958640

M. W.

346.0146

CAS

91394-96-6

Similarity

N/A

ID: 15979

2,7-dibromo-3,6-dimethoxynaphthalene

$$$$ Data

M. F.

C12H10Br2O2

Suppliers	Catalog Number
Matrix Scientific	016600

Database	Data ID
PubChem	640259

M. W.

346.0146

CAS

105404-89-5

Similarity

N/A

ID: 15980

2,7-bis[(12-bromododecyl)sulfanyl]-3,6-dimethoxynaphthalene

$$$$ Data

M. F.

C36H58Br2O2S2

Suppliers	Catalog Number
Matrix Scientific	016601

Database	Data ID
PubChem	45075149

M. W.

746.78252

CAS

Similarity

N/A

ID: 15981

1,2,4,5-tetraiodobenzene

$$$$ Data

M. F.

C6H2I4

Suppliers	Catalog Number
Matrix Scientific	016602

Database	Data ID
PubChem	12488

M. W.

581.69796

CAS

636-31-7

Similarity

N/A

ID: 15982

1-bromo-2-iodo-4,5-dimethoxybenzene

$$$$ Data

M. F.

C8H8BrIO2

Suppliers	Catalog Number
Matrix Scientific	016603

Database	Data ID
PubChem	3346404

M. W.

342.95639

CAS

89978-46-1

Similarity

N/A

ID: 15983

1-bromo-4,5-dimethoxy-2-nitrobenzene

$$$$ Data

M. F.

C8H8BrNO4

Suppliers	Catalog Number
Sigma Aldrich	689955
Matrix Scientific	016604

Database	Data ID
PubChem	170968

M. W.

262.05742

CAS

51072-66-3

Similarity

N/A

ID: 15984

naphthalene-2,7-disulfonyl dichloride

$$$$ Data

M. F.

C10H6Cl2O4S2

Suppliers	Catalog Number
Matrix Scientific	016605
Apollo Scientific	OR28083

Database	Data ID
PubChem	2795149

M. W.

325.18824

CAS

19551-16-7

Similarity

N/A

ID: 15985

naphthalene-2,7-dithiol

$$$$ Data

M. F.

C10H8S2

Suppliers	Catalog Number
Matrix Scientific	016606

Database	Data ID
PubChem	13379617

M. W.

192.30052

CAS

71977-56-5

Similarity

N/A

ID: 15986

naphthalene-2,6-disulfonyl dichloride

$$$$ Data

M. F.

C10H6Cl2O4S2

Suppliers	Catalog Number
Matrix Scientific	016607
Apollo Scientific	OR28081

Database	Data ID
PubChem	581160

M. W.

325.18824

CAS

13827-62-8

Similarity

N/A

ID: 15987

naphthalene-2,6-dithiol

$$$$ Data

M. F.

C10H8S2

Suppliers	Catalog Number
Matrix Scientific	016608

Database	Data ID
PubChem	13379616

M. W.

192.30052

CAS

96892-95-4

Similarity

N/A

ID: 15988

2,7-bis(methylsulfanyl)naphthalene

$$$$ Data

M. F.

C12H12S2

Suppliers	Catalog Number
Matrix Scientific	016609

Database	Data ID
PubChem	26188731

M. W.

220.35368

CAS

10075-78-2

Similarity

N/A

ID: 15989

2-bromo-3-iodonaphthalene

$$$$ Data

M. F.

C10H6BrI

Suppliers	Catalog Number
Matrix Scientific	016610

Database	Data ID
PubChem	11174977

M. W.

332.96311

CAS

102153-44-6

Similarity

N/A

ID: 15990

2,3,4-trimethoxyphenol

$$$$ Data

M. F.

C9H12O4

Suppliers	Catalog Number
Matrix Scientific	016611

Database	Data ID
PubChem	603577

M. W.

184.18918

CAS

19676-64-3

Similarity

N/A

ID: 15991

2,6-bis(methylsulfanyl)naphthalene

$$$$ Data

M. F.

C12H12S2

Suppliers	Catalog Number
Matrix Scientific	016612

Database	Data ID
PubChem	139090

M. W.

220.35368

CAS

10075-77-1

Similarity

N/A

ID: 15992

3-fluoro-2-(piperazin-1-yl)benzaldehyde hydrochloride

$$$$ Data

M. F.

C11H14ClFN2O

Suppliers	Catalog Number
Matrix Scientific	016613

Database	Data ID
PubChem	46735524

M. W.

244.6930632

CAS

Similarity

N/A

ID: 15993

3-fluoro-4-(morpholin-4-yl)benzaldehyde

$$$$ Data

M. F.

C11H12FNO2

Suppliers	Catalog Number
Matrix Scientific	016614
Enamine	EN300-66400

Database	Data ID
PubChem	6486949

M. W.

209.2168832

CAS

495404-90-5

Similarity

N/A

ID: 15994

3-fluoro-4-(piperazin-1-yl)benzaldehyde hydrochloride

$$$$ Data

M. F.

C11H14ClFN2O

Suppliers	Catalog Number
Matrix Scientific	016615

Database	Data ID
PubChem	46735525

M. W.

244.6930632

CAS

Similarity

N/A

ID: 15995

2-(4-benzylpiperazin-1-yl)-3-fluorobenzaldehyde

$$$$ Data

M. F.

C18H19FN2O

Suppliers	Catalog Number
Matrix Scientific	016616

Database	Data ID
PubChem	26188736

M. W.

298.3546632

CAS

Similarity

N/A

ID: 15996

3-bromo-4-(morpholin-4-yl)benzaldehyde

$$$$ Data

M. F.

C11H12BrNO2

Suppliers	Catalog Number
Matrix Scientific	016617
A&J Pharmtech	AJA-O9377

Database	Data ID
PubChem	23506020

M. W.

270.12248

CAS

263349-24-2

Similarity

N/A

ID: 15997

2-(4-benzylpiperazin-1-yl)-5-fluorobenzaldehyde

$$$$ Data

M. F.

C18H19FN2O

Suppliers	Catalog Number
Matrix Scientific	016618

Database	Data ID
PubChem	26188740

M. W.

298.3546632

CAS

Similarity

N/A

ID: 15998

2-(4-benzylpiperazin-1-yl)-4-bromobenzaldehyde

$$$$ Data

M. F.

C18H19BrN2O

Suppliers	Catalog Number
Matrix Scientific	016619

Database	Data ID
PubChem	26188744

M. W.

359.26026

CAS

Similarity

N/A

ID: 15999

4-(4-benzylpiperazin-1-yl)-2-bromobenzaldehyde

$$$$ Data

M. F.

C18H19BrN2O

Suppliers	Catalog Number
Matrix Scientific	016620

Database	Data ID
PubChem	26188748

M. W.

359.26026

CAS

Similarity

N/A

ID: 16000

1-benzyl-4-(4-bromo-2-nitrophenyl)piperazine

$$$$ Data

M. F.

C17H18BrN3O2

Suppliers	Catalog Number
Matrix Scientific	016621

Database	Data ID
PubChem	8370165

M. W.

376.24772

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified