1,3-dibromo-2-(3,5-dibromophenyl)benzene

C12H6Br4 — CID 90479586

IUPAC1,3-dibromo-2-(3,5-dibromophenyl)benzene
SMILESBrc1cc(Br)cc(-c2c(Br)cccc2Br)c1
InChIInChI=1S/C12H6Br4/c13-8-4-7(5-9(14)6-8)12-10(15)2-1-3-11(12)16/h1-6H
InChIKeyCOACTWIPGBJBSQ-UHFFFAOYSA-N
MW469.80 g/mol
LogP6.40
Rot. Bonds1

About 1,3-dibromo-2-(3,5-dibromophenyl)benzene

1,3-dibromo-2-(3,5-dibromophenyl)benzene (PubChem CID 90479586) has the molecular formula C12H6Br4 and a molecular weight of 469.80 g/mol. Its IUPAC name is 1,3-dibromo-2-(3,5-dibromophenyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-2-(3,5-dibromophenyl)benzene
PubChem CID90479586
Molecular FormulaC12H6Br4
Molecular Weight469.80 g/mol
Exact Mass465.72
IUPAC Name1,3-dibromo-2-(3,5-dibromophenyl)benzene
SMILESBrc1cc(Br)cc(-c2c(Br)cccc2Br)c1
InChIInChI=1S/C12H6Br4/c13-8-4-7(5-9(14)6-8)12-10(15)2-1-3-11(12)16/h1-6H
InChIKeyCOACTWIPGBJBSQ-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.80
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dibromo-2-(3,5-dibromophenyl)benzene 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 1,3-dibromo-2-(3,5-dibromophenyl)benzene?
The IUPAC name of 1,3-dibromo-2-(3,5-dibromophenyl)benzene (CID 90479586) is 1,3-dibromo-2-(3,5-dibromophenyl)benzene.
What is the SMILES notation for 1,3-dibromo-2-(3,5-dibromophenyl)benzene?
The canonical SMILES for 1,3-dibromo-2-(3,5-dibromophenyl)benzene is Brc1cc(Br)cc(-c2c(Br)cccc2Br)c1.
What is the InChIKey of 1,3-dibromo-2-(3,5-dibromophenyl)benzene?
The InChIKey is COACTWIPGBJBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br4/c13-8-4-7(5-9(14)6-8)12-10(15)2-1-3-11(12)16/h1-6H.
What are the key properties of 1,3-dibromo-2-(3,5-dibromophenyl)benzene?
1,3-dibromo-2-(3,5-dibromophenyl)benzene has a molecular weight of 469.80 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-(3,5-dibromophenyl)benzene is sourced from PubChem (CID 90479586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).