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103068-20-8 molecular structure
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1-bromo-3,5-diphenylbenzene

ChemBase ID: 292001
Molecular Formular: C18H13Br
Molecular Mass: 309.19982
Monoisotopic Mass: 308.02006242
SMILES and InChIs

SMILES:
Brc1cc(cc(c1)c1ccccc1)c1ccccc1
Canonical SMILES:
Brc1cc(cc(c1)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H13Br/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H
InChIKey:
IOPQERQQZZREDR-UHFFFAOYSA-N

Cite this record

CBID:292001 http://www.chembase.cn/molecule-292001.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-3,5-diphenylbenzene
IUPAC Traditional name
1-bromo-3,5-diphenylbenzene
Synonyms
5'-Bromo-1,1':3',1''-terphenyl
CAS Number
103068-20-8
MDL Number
MFCD00196170
PubChem SID
180677532
PubChem CID
10070257

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD239620 Please log in.
Data Source Data ID
PubChem 10070257 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.036449  LogD (pH = 7.4) 6.036449 
Log P 6.036449  Molar Refractivity 83.9532 cm3
Polarizability 34.907978 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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