1-bromo-3-(3-bromophenyl)-5-phenylbenzene

C18H12Br2 — CID 90126090

IUPAC1-bromo-3-(3-bromophenyl)-5-phenylbenzene
SMILESBrc1cccc(-c2cc(Br)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C18H12Br2/c19-17-8-4-7-14(10-17)16-9-15(11-18(20)12-16)13-5-2-1-3-6-13/h1-12H
InChIKeyPFMXWEYKWPMXPN-UHFFFAOYSA-N
MW388.10 g/mol
LogP6.55
Rot. Bonds2

About 1-bromo-3-(3-bromophenyl)-5-phenylbenzene

1-bromo-3-(3-bromophenyl)-5-phenylbenzene (PubChem CID 90126090) has the molecular formula C18H12Br2 and a molecular weight of 388.10 g/mol. Its IUPAC name is 1-bromo-3-(3-bromophenyl)-5-phenylbenzene.

Molecular Properties

Compound Name1-bromo-3-(3-bromophenyl)-5-phenylbenzene
PubChem CID90126090
Molecular FormulaC18H12Br2
Molecular Weight388.10 g/mol
Exact Mass385.93
IUPAC Name1-bromo-3-(3-bromophenyl)-5-phenylbenzene
SMILESBrc1cccc(-c2cc(Br)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C18H12Br2/c19-17-8-4-7-14(10-17)16-9-15(11-18(20)12-16)13-5-2-1-3-6-13/h1-12H
InChIKeyPFMXWEYKWPMXPN-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.10
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-3-(3-bromophenyl)-5-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-bromophenyl)-5-phenylbenzene?
The IUPAC name of 1-bromo-3-(3-bromophenyl)-5-phenylbenzene (CID 90126090) is 1-bromo-3-(3-bromophenyl)-5-phenylbenzene.
What is the SMILES notation for 1-bromo-3-(3-bromophenyl)-5-phenylbenzene?
The canonical SMILES for 1-bromo-3-(3-bromophenyl)-5-phenylbenzene is Brc1cccc(-c2cc(Br)cc(-c3ccccc3)c2)c1.
What is the InChIKey of 1-bromo-3-(3-bromophenyl)-5-phenylbenzene?
The InChIKey is PFMXWEYKWPMXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2/c19-17-8-4-7-14(10-17)16-9-15(11-18(20)12-16)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 1-bromo-3-(3-bromophenyl)-5-phenylbenzene?
1-bromo-3-(3-bromophenyl)-5-phenylbenzene has a molecular weight of 388.10 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-bromophenyl)-5-phenylbenzene is sourced from PubChem (CID 90126090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).