4-bromo-1,2-bis(4-bromophenyl)benzene

C18H11Br3 — CID 54378809

IUPAC4-bromo-1,2-bis(4-bromophenyl)benzene
SMILESBrc1ccc(-c2ccc(Br)cc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H11Br3/c19-14-5-1-12(2-6-14)17-10-9-16(21)11-18(17)13-3-7-15(20)8-4-13/h1-11H
InChIKeyUYLSAGJVEVQPQD-UHFFFAOYSA-N
MW467.00 g/mol
LogP7.31
Rot. Bonds2

About 4-bromo-1,2-bis(4-bromophenyl)benzene

4-bromo-1,2-bis(4-bromophenyl)benzene (PubChem CID 54378809) has the molecular formula C18H11Br3 and a molecular weight of 467.00 g/mol. Its IUPAC name is 4-bromo-1,2-bis(4-bromophenyl)benzene.

Molecular Properties

Compound Name4-bromo-1,2-bis(4-bromophenyl)benzene
PubChem CID54378809
Molecular FormulaC18H11Br3
Molecular Weight467.00 g/mol
Exact Mass463.84
IUPAC Name4-bromo-1,2-bis(4-bromophenyl)benzene
SMILESBrc1ccc(-c2ccc(Br)cc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H11Br3/c19-14-5-1-12(2-6-14)17-10-9-16(21)11-18(17)13-3-7-15(20)8-4-13/h1-11H
InChIKeyUYLSAGJVEVQPQD-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.00
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol
CID 159686938
4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane
CID 159686937
3-(4-bromophenyl)-4-phenylaniline
CID 142474025
1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
CID 167027161
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
4-(2,5-dibromophenyl)phenol
CID 86165332
1,4-dibromo-2-(4-methylphenyl)benzene
CID 18458568
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride
CID 138584228
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2-bis(4-bromophenyl)benzene?
The IUPAC name of 4-bromo-1,2-bis(4-bromophenyl)benzene (CID 54378809) is 4-bromo-1,2-bis(4-bromophenyl)benzene.
What is the SMILES notation for 4-bromo-1,2-bis(4-bromophenyl)benzene?
The canonical SMILES for 4-bromo-1,2-bis(4-bromophenyl)benzene is Brc1ccc(-c2ccc(Br)cc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-1,2-bis(4-bromophenyl)benzene?
The InChIKey is UYLSAGJVEVQPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br3/c19-14-5-1-12(2-6-14)17-10-9-16(21)11-18(17)13-3-7-15(20)8-4-13/h1-11H.
What are the key properties of 4-bromo-1,2-bis(4-bromophenyl)benzene?
4-bromo-1,2-bis(4-bromophenyl)benzene has a molecular weight of 467.00 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,2-bis(4-bromophenyl)benzene is sourced from PubChem (CID 54378809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).