1,3-bis(4-bromophenyl)-5-phenylbenzene

C24H16Br2 — CID 14022735

IUPAC1,3-bis(4-bromophenyl)-5-phenylbenzene
SMILESBrc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C24H16Br2/c25-23-10-6-18(7-11-23)21-14-20(17-4-2-1-3-5-17)15-22(16-21)19-8-12-24(26)13-9-19/h1-16H
InChIKeyWRWJWNSYSCUNCF-UHFFFAOYSA-N
MW464.20 g/mol
LogP8.21
Rot. Bonds3

About 1,3-bis(4-bromophenyl)-5-phenylbenzene

1,3-bis(4-bromophenyl)-5-phenylbenzene (PubChem CID 14022735) has the molecular formula C24H16Br2 and a molecular weight of 464.20 g/mol. Its IUPAC name is 1,3-bis(4-bromophenyl)-5-phenylbenzene.

Molecular Properties

Compound Name1,3-bis(4-bromophenyl)-5-phenylbenzene
PubChem CID14022735
Molecular FormulaC24H16Br2
Molecular Weight464.20 g/mol
Exact Mass461.96
IUPAC Name1,3-bis(4-bromophenyl)-5-phenylbenzene
SMILESBrc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C24H16Br2/c25-23-10-6-18(7-11-23)21-14-20(17-4-2-1-3-5-17)15-22(16-21)19-8-12-24(26)13-9-19/h1-16H
InChIKeyWRWJWNSYSCUNCF-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.20
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-bromophenyl)-5-phenylbenzene?
The IUPAC name of 1,3-bis(4-bromophenyl)-5-phenylbenzene (CID 14022735) is 1,3-bis(4-bromophenyl)-5-phenylbenzene.
What is the SMILES notation for 1,3-bis(4-bromophenyl)-5-phenylbenzene?
The canonical SMILES for 1,3-bis(4-bromophenyl)-5-phenylbenzene is Brc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Br)cc3)c2)cc1.
What is the InChIKey of 1,3-bis(4-bromophenyl)-5-phenylbenzene?
The InChIKey is WRWJWNSYSCUNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2/c25-23-10-6-18(7-11-23)21-14-20(17-4-2-1-3-5-17)15-22(16-21)19-8-12-24(26)13-9-19/h1-16H.
What are the key properties of 1,3-bis(4-bromophenyl)-5-phenylbenzene?
1,3-bis(4-bromophenyl)-5-phenylbenzene has a molecular weight of 464.20 g/mol, XLogP of 8.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-bromophenyl)-5-phenylbenzene is sourced from PubChem (CID 14022735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).