1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene

C24H16Br2 — CID 90084666

IUPAC1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene
SMILESBrc1cccc(-c2cccc(-c3cccc(-c4cccc(Br)c4)c3)c2)c1
InChIInChI=1S/C24H16Br2/c25-23-11-3-9-21(15-23)19-7-1-5-17(13-19)18-6-2-8-20(14-18)22-10-4-12-24(26)16-22/h1-16H
InChIKeyLAUHUZGLLCFACE-UHFFFAOYSA-N
MW464.20 g/mol
LogP8.21
Rot. Bonds3

About 1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene

1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene (PubChem CID 90084666) has the molecular formula C24H16Br2 and a molecular weight of 464.20 g/mol. Its IUPAC name is 1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene
PubChem CID90084666
Molecular FormulaC24H16Br2
Molecular Weight464.20 g/mol
Exact Mass461.96
IUPAC Name1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene
SMILESBrc1cccc(-c2cccc(-c3cccc(-c4cccc(Br)c4)c3)c2)c1
InChIInChI=1S/C24H16Br2/c25-23-11-3-9-21(15-23)19-7-1-5-17(13-19)18-6-2-8-20(14-18)22-10-4-12-24(26)16-22/h1-16H
InChIKeyLAUHUZGLLCFACE-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-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene?
The IUPAC name of 1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene (CID 90084666) is 1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene?
The canonical SMILES for 1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene is Brc1cccc(-c2cccc(-c3cccc(-c4cccc(Br)c4)c3)c2)c1.
What is the InChIKey of 1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene?
The InChIKey is LAUHUZGLLCFACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2/c25-23-11-3-9-21(15-23)19-7-1-5-17(13-19)18-6-2-8-20(14-18)22-10-4-12-24(26)16-22/h1-16H.
What are the key properties of 1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene?
1-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene 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-bromo-3-[3-[3-(3-bromophenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 90084666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).