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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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).