1-phenyl-3-(3-phenylphenyl)benzene

• ChemBase ID: 109820
• Molecular Formular: C24H18
• Molecular Mass: 306.39972
• Monoisotopic Mass: 306.14085058
• SMILES: c1ccc(cc1)c1cc(ccc1)c1cccc(c1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1cccc(c1)c1cccc(c1)c1ccccc1
• InChI: InChI=1S/C24H18/c1-3-9-19(10-4-1)21-13-7-15-23(17-21)24-16-8-14-22(18-24)20-11-5-2-6-12-20/h1-18H
• InChIKey: OWPJBAYCIXEHFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-3-(3-phenylphenyl)benzene
• IUPAC Traditional name: 1-phenyl-3-(3-phenylphenyl)benzene
• Synonyms: 3,3'-DIPHENYLBIPHENYL

Database IDs

• CAS Number: 1166-18-3
• PubChem SID: 162090497
• PubChem CID: 14422

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.9149218
• LogD (pH = 7.4): 6.9149218
• Log P: 6.9149218
• Molar Refractivity: 101.4666 cm^3
• Polarizability: 43.84714 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05212712

MP Biomedicals Rare Chemical collection