1,3-dibromo-5-(4-phenylphenyl)benzene

C18H12Br2 — CID 90097425

IUPAC1,3-dibromo-5-(4-phenylphenyl)benzene
SMILESBrc1cc(Br)cc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C18H12Br2/c19-17-10-16(11-18(20)12-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKeyUKZGRDOECVLYML-UHFFFAOYSA-N
MW388.10 g/mol
LogP6.55
Rot. Bonds2

About 1,3-dibromo-5-(4-phenylphenyl)benzene

1,3-dibromo-5-(4-phenylphenyl)benzene (PubChem CID 90097425) has the molecular formula C18H12Br2 and a molecular weight of 388.10 g/mol. Its IUPAC name is 1,3-dibromo-5-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-5-(4-phenylphenyl)benzene
PubChem CID90097425
Molecular FormulaC18H12Br2
Molecular Weight388.10 g/mol
Exact Mass385.93
IUPAC Name1,3-dibromo-5-(4-phenylphenyl)benzene
SMILESBrc1cc(Br)cc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C18H12Br2/c19-17-10-16(11-18(20)12-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKeyUKZGRDOECVLYML-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 1,3-dibromo-5-(4-phenylphenyl)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-5-(4-phenylphenyl)benzene?
The IUPAC name of 1,3-dibromo-5-(4-phenylphenyl)benzene (CID 90097425) is 1,3-dibromo-5-(4-phenylphenyl)benzene.
What is the SMILES notation for 1,3-dibromo-5-(4-phenylphenyl)benzene?
The canonical SMILES for 1,3-dibromo-5-(4-phenylphenyl)benzene is Brc1cc(Br)cc(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1,3-dibromo-5-(4-phenylphenyl)benzene?
The InChIKey is UKZGRDOECVLYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2/c19-17-10-16(11-18(20)12-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 1,3-dibromo-5-(4-phenylphenyl)benzene?
1,3-dibromo-5-(4-phenylphenyl)benzene 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 1,3-dibromo-5-(4-phenylphenyl)benzene is sourced from PubChem (CID 90097425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).