Chembase list of 866358 unique molecular structures

disodium 6-amino-5-[2-(4-acetamido-2-sulfonatophenyl)diazen-1-yl]-4-hydroxynapht...

$$$$ Data

M. F.

C18H14N4Na2O8S2

Suppliers	Catalog Number
MP Biomedicals	05204301

Database	Data ID
PubChem	5483359

M. W.

524.4353

CAS

Similarity

N/A

ID: 107602

N,N-bis(2-hydroxyethyl)dodecanamide

$$$$ Data

M. F.

C16H33NO3

Suppliers	Catalog Number
MP Biomedicals	05204303
Bide Pharmatech	BD135951

Database	Data ID
PubChem	8430

M. W.

287.43812

CAS

120-40-1

Similarity

N/A

ID: 107603

dilanthanum(3+) ion trioxalate

$$$$ Data

M. F.

C6La2O12

Suppliers	Catalog Number
MP Biomedicals	05204305
Alfa Aesar	13196 43122

Database	Data ID
PubChem	164654

M. W.

541.868

CAS

537-03-1

Similarity

N/A

ID: 107604

2-(3,4-dihydroxybenzoyl)benzene-1,3,5-triol

$$$$ Data

M. F.

C13H10O6

Suppliers	Catalog Number
BioBioPha	BBP02070
MP Biomedicals	05204312

Database	Data ID
PubChem	68213

M. W.

262.2149

CAS

519-34-6

Similarity

N/A

ID: 107605

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

$$$$ Data

M. F.

C8H8ClNO4

Suppliers	Catalog Number
MP Biomedicals	05204319

Database	Data ID
PubChem	8383

M. W.

217.60642

CAS

119-21-1

Similarity

N/A

ID: 107606

2,4-dinitroaniline

$$$$ Data More

M. F.

C6H5N3O4

Suppliers	Catalog Number
Sigma Aldrich	D193011 45963
MP Biomedicals	05204322
Alfa Aesar	B21080

Database	Data ID
PubChem	7321

M. W.

183.1216

CAS

97-02-9

Similarity

N/A

ID: 107607

N,N-dimethyltetradecanamide

$$$$ Data

M. F.

C16H33NO

Suppliers	Catalog Number
MP Biomedicals	05204323

Database	Data ID
PubChem	76388

M. W.

255.43932

CAS

3015-65-4

Similarity

N/A

ID: 107608

2,6-dimethylheptan-3-ol

$$$$ Data

M. F.

C9H20O

Suppliers	Catalog Number
MP Biomedicals	05204324

Database	Data ID
PubChem	29653

M. W.

144.2545

CAS

19549-73-6

Similarity

N/A

ID: 107609

2,6-dimethylhept-1-ene

$$$$ Data

M. F.

C9H18

Suppliers	Catalog Number
MP Biomedicals	05204325

Database	Data ID
PubChem	76492

M. W.

126.23922

CAS

3074-78-0

Similarity

N/A

ID: 107610

N-methylbenzamide

$$$$ Data

M. F.

C8H9NO

Suppliers	Catalog Number
Sigma Aldrich	222798
MP Biomedicals	05204331
Alfa Aesar	A18057

Database	Data ID
PubChem	11954

M. W.

135.16316

CAS

613-93-4

Similarity

N/A

ID: 107611

4-[6-(morpholin-4-yl)hexa-2,4-diyn-1-yl]morpholine

$$$$ Data

M. F.

C14H20N2O2

Suppliers	Catalog Number
MP Biomedicals	05204332

Database	Data ID
PubChem	246674

M. W.

248.3208

CAS

Similarity

N/A

ID: 107612

1,3-dioxane

$$$$ Data

M. F.

C4H8O2

Suppliers	Catalog Number
Sigma Aldrich	283061 42531
MP Biomedicals	05204333

Database	Data ID
PubChem	10450

M. W.

88.10512

CAS

505-22-6

Similarity

N/A

ID: 107613

ethyl 4-chloro-2-(ethylsulfanyl)pyrimidine-5-carboxylate

$$$$ Data

M. F.

C9H11ClN2O2S

Suppliers	Catalog Number
MP Biomedicals	05204347

Database	Data ID
PubChem	97413

M. W.

246.71384

CAS

Similarity

N/A

ID: 107614

3,3-diphenylpropanoic acid

$$$$ Data More

M. F.

C15H14O2

Suppliers	Catalog Number
Sigma Aldrich	D211656 43220
MP Biomedicals	05204361
InterBioScreen	BB_SC-5563

Database	Data ID
PubChem	64798

M. W.

226.27046

CAS

606-83-7

Similarity

N/A

ID: 107615

1,2,4,5-tetramethylbenzene

$$$$ Data

M. F.

C10H14

Suppliers	Catalog Number
Sigma Aldrich	T19607 44624 74658
MP Biomedicals	05204362
Alfa Aesar	L04493

Database	Data ID
Wikipedia	Durene
PubChem	7269

M. W.

134.21816

CAS

95-93-2

Similarity

N/A

ID: 107616

dysprosium(3+) ion triacetate tetrahydrate

$$$$ Data

M. F.

C6H17DyO10

Suppliers	Catalog Number
MP Biomedicals	05204363
Alfa Aesar	14595 11314

Database	Data ID
PubChem	24884366

M. W.

411.69318

CAS

15280-55-4

Similarity

N/A

ID: 107617

5,6-diphenyl-1,2,4-triazine

$$$$ Data

M. F.

C15H11N3

Suppliers	Catalog Number
MP Biomedicals	05204364

Database	Data ID
PubChem	252499

M. W.

233.26794

CAS

21134-91-8

Similarity

N/A

ID: 107618

4-(2-methylbutyl)benzoyl chloride

$$$$ Data

M. F.

C12H15ClO

Suppliers	Catalog Number
MP Biomedicals	05204367

Database	Data ID
PubChem	2735083

M. W.

210.6999

CAS

Similarity

N/A

ID: 107619

2,3-diphenyl-1H-inden-1-one

$$$$ Data

M. F.

C21H14O

Suppliers	Catalog Number
Sigma Aldrich	D209007
MP Biomedicals	05204369

Database	Data ID
PubChem	74536

M. W.

282.33526

CAS

1801-42-9

Similarity

N/A

ID: 107620

bis(4-phenylphenyl)methanone

$$$$ Data

M. F.

C25H18O

Suppliers	Catalog Number
MP Biomedicals	05204372
Alfa Aesar	L06502

Database	Data ID
PubChem	228453

M. W.

334.40982

CAS

3478-90-8

Similarity

N/A

ID: 107621

1,1-diphenylguanidine; benzene-1,2-dicarboxylic acid

$$$$ Data

M. F.

C21H19N3O4

Suppliers	Catalog Number
MP Biomedicals	05204374

Database	Data ID
PubChem	21297472

M. W.

377.39326

CAS

17573-13-6

Similarity

N/A

ID: 107622

(3,3-diphenylpropyl)urea

$$$$ Data

M. F.

C16H18N2O

Suppliers	Catalog Number
MP Biomedicals	05204377

Database	Data ID
PubChem	21886136

M. W.

254.32692

CAS

Similarity

N/A

ID: 107623

2-(2,2-diphenylacetyl)-2,3-dihydro-1H-indene-1,3-dione

$$$$ Data

M. F.

C23H16O3

Suppliers	Catalog Number
MP Biomedicals	05204382

Database	Data ID
Wikipedia	Diphenadione
PubChem	6719

M. W.

340.37134

CAS

82-66-6

Similarity

N/A

ID: 107624

1,3-diphenyl benzene-1,3-dicarboxylate

$$$$ Data More

M. F.

C20H14O4

Suppliers	Catalog Number
Sigma Aldrich	411698
MP Biomedicals	05204383
Bide Pharmatech	BD41988

Database	Data ID
PubChem	69779

M. W.

318.32276

CAS

744-45-6

Similarity

N/A

ID: 107625

diethenyldiphenylsilane

$$$$ Data

M. F.

C16H16Si

Suppliers	Catalog Number
MP Biomedicals	05204389

Database	Data ID
PubChem	260855

M. W.

236.38374

CAS

50694-43-4

Similarity

N/A

ID: 107626

{[dimethyl(phenyl)silyl]oxy}dimethylphenylsilane

$$$$ Data

M. F.

C16H22OSi2

Suppliers	Catalog Number
Sigma Aldrich	43342
MP Biomedicals	05204391

Database	Data ID
PubChem	5945

M. W.

286.51628

CAS

56-33-7

Similarity

N/A

ID: 107627

1,4-diphenylpiperazine

$$$$ Data

M. F.

C16H18N2

Suppliers	Catalog Number
MP Biomedicals	05204392

Database	Data ID
PubChem	69173

M. W.

238.32752

CAS

613-39-8

Similarity

N/A

ID: 107628

1,1-diphenyl-2-(2,4,6-trinitrophenyl)hydrazine

$$$$ Data

M. F.

C18H13N5O6

Suppliers	Catalog Number
Sigma Aldrich	281689 43170
MP Biomedicals	05204400

Database	Data ID
PubChem	74358

M. W.

395.32572

CAS

1707-75-1

Similarity

N/A

ID: 107629

1,20-dibromoicosane

$$$$ Data

M. F.

C20H40Br2

Suppliers	Catalog Number
MP Biomedicals	05204402

Database	Data ID
PubChem	545761

M. W.

440.3396

CAS

Similarity

N/A

ID: 107630

thianthrene

$$$$ Data

M. F.

C12H8S2

Suppliers	Catalog Number
Sigma Aldrich	260940 122440
MP Biomedicals	05204409
Bide Pharmatech	BD14414

Database	Data ID
Wikipedia	Thianthrene
PubChem	7109

M. W.

216.32192

CAS

92-85-3

Similarity

N/A

ID: 107631

(3,5-dichlorophenyl)(phenyl)methanone

$$$$ Data

M. F.

C13H8Cl2O

Suppliers	Catalog Number
MP Biomedicals	05204412

Database	Data ID
PubChem	19756095

M. W.

251.10802

CAS

Similarity

N/A

ID: 107632

2-(bromomethyl)oxirane

$$$$ Data

M. F.

C3H5BrO

Suppliers	Catalog Number
Sigma Aldrich	E1012 45295
MP Biomedicals	05204416
TRC	E582250

Database	Data ID
PubChem	18430

M. W.

136.9752

CAS

3132-64-7

Similarity

N/A

ID: 107633

1-(2H-1,3-benzodioxol-5-yl)pent-1-en-3-one

$$$$ Data

M. F.

C12H12O3

Suppliers	Catalog Number
MP Biomedicals	05204417

Database	Data ID
PubChem	5462733

M. W.

204.22188

CAS

Similarity

N/A

ID: 107634

erbium(3+) ion hexahydrate trichloride

$$$$ Data

M. F.

Cl3ErO6

Suppliers	Catalog Number
MP Biomedicals	05204418
Alfa Aesar	11305 11304

Database	Data ID
PubChem	19103329

M. W.

369.6144

CAS

10025-75-9

Similarity

N/A

ID: 107635

1-ethyl-2-methylcyclopent-1-ene

$$$$ Data

M. F.

C8H14

Suppliers	Catalog Number
MP Biomedicals	05204419

Database	Data ID
PubChem	88243

M. W.

110.19676

CAS

19780-56-4

Similarity

N/A

ID: 107636

4,4,4-trifluoro-3-oxobutanal

$$$$ Data

M. F.

C4H3F3O2

Suppliers	Catalog Number
MP Biomedicals	05204420

Database	Data ID
PubChem	10280323

M. W.

140.0606296

CAS

326-91-0

Similarity

N/A

ID: 107637

octadecanamide

$$$$ Data

M. F.

C18H37NO

Suppliers	Catalog Number
Sigma Aldrich	O601 85702
MP Biomedicals	05204422

Database	Data ID
PubChem	31292

M. W.

283.49248

CAS

124-26-5

Similarity

N/A

ID: 107638

osmium(4+) ion potassium pentabromide

$$$$ Data

M. F.

Br5KOs

Suppliers	Catalog Number
MP Biomedicals	05204423

Database	Data ID
PubChem	25022031

M. W.

628.8483

CAS

Similarity

N/A

ID: 107639

1,1,2,3,3-pentachloroprop-1-ene

$$$$ Data

M. F.

C3HCl5

Suppliers	Catalog Number
MP Biomedicals	05204427

Database	Data ID
PubChem	15338

M. W.

214.30504

CAS

1600-37-9

Similarity

N/A

ID: 107640

pentacosanoic acid

$$$$ Data

M. F.

C25H50O2

Suppliers	Catalog Number
Sigma Aldrich	P8911
MP Biomedicals	05204428

Database	Data ID
PubChem	10468

M. W.

382.6633

CAS

506-38-7

Similarity

N/A

ID: 107641

4-methyl-4-nitropentanenitrile

$$$$ Data

M. F.

C6H10N2O2

Suppliers	Catalog Number
MP Biomedicals	05204430

Database	Data ID
PubChem	3879140

M. W.

142.1558

CAS

Similarity

N/A

ID: 107642

octadecane-1-thiol

$$$$ Data

M. F.

C18H38S

Suppliers	Catalog Number
Sigma Aldrich	O1858 662194 74731
MP Biomedicals	05204432
Alfa Aesar	L04123

Database	Data ID
PubChem	17905

M. W.

286.55932

CAS

2885-00-9

Similarity

N/A

ID: 107643

octadec-1-ene

$$$$ Data

M. F.

C18H36

Suppliers	Catalog Number
Sigma Aldrich	O806 74740 74738 (more...)
MP Biomedicals	05204433
Alfa Aesar	L11004

Database	Data ID
Wikipedia	Octadecene
PubChem	8217

M. W.

252.47844

CAS

112-88-9

Similarity

N/A

ID: 107644

iron(2+) ion tris(5-nitro-1,10-phenanthroline) diperchlorate

$$$$ Data

M. F.

C36H21Cl2FeN9O14

Suppliers	Catalog Number
MP Biomedicals	05204434

Database	Data ID
PubChem	84890

M. W.

930.35484

CAS

15389-73-8

Similarity

N/A

ID: 107645

benzyl(nonadecan-10-yl)amine

$$$$ Data

M. F.

C26H47N

Suppliers	Catalog Number
MP Biomedicals	05204446

Database	Data ID
PubChem	232908

M. W.

373.65808

CAS

845715-09-5

Similarity

N/A

ID: 107646

4-[(1S,2S,5S,7R,10R,11S,13S,14R,15R)-5,11,13-trihydroxy-2,15-dimethyltetracyclo[...

$$$$ Data

M. F.

C23H34O5

Suppliers	Catalog Number
Sigma Aldrich	48940
MP Biomedicals	05204447
InterBioScreen	STOCK1N-09190

Database	Data ID
PubChem	348482

M. W.

390.51306

CAS

545-26-6

Similarity

N/A

ID: 107647

5-nitro-1H-1,3-benzodiazole

$$$$ Data More

M. F.

C7H5N3O2

Suppliers	Catalog Number
Sigma Aldrich	N11604
MP Biomedicals	05204459
Alfa Aesar	A10524

Database	Data ID
PubChem	7195

M. W.

163.1335

CAS

7597-18-4

Similarity

N/A

ID: 107648

beryllium(2+) ion potassium trifluoride

$$$$ Data

M. F.

BeF3K

Suppliers	Catalog Number
MP Biomedicals	05204466

Database	Data ID
PubChem	25021302

M. W.

105.1056916

CAS

7787-50-0

Similarity

N/A

ID: 107649

5-nitrobenzene-1,3-dicarboxylic acid

$$$$ Data More

M. F.

C8H5NO6

Suppliers	Catalog Number
Sigma Aldrich	N18005 73450
MP Biomedicals	05204469
Alfa Aesar	A11696

Database	Data ID
PubChem	12069

M. W.

211.1284

CAS

618-88-2

Similarity

N/A

ID: 107650

1,3,5-trimethyl-2-nitrobenzene

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Sigma Aldrich	N18501
MP Biomedicals	05204470

Database	Data ID
PubChem	69051

M. W.

165.18914

CAS

603-71-4

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