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

• ChemBase ID: 111185
• Molecular Formular: C30H22
• Molecular Mass: 382.49568
• Monoisotopic Mass: 382.1721507
• SMILES: c1ccc(cc1)c1cc(ccc1)c1cc(ccc1)c1cccc(c1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1cccc(c1)c1cccc(c1)c1cccc(c1)c1ccccc1
• InChI: InChI=1S/C30H22/c1-3-10-23(11-4-1)25-14-7-16-27(20-25)29-18-9-19-30(22-29)28-17-8-15-26(21-28)24-12-5-2-6-13-24/h1-22H
• InChIKey: XQCZQOSQCGDDPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-3-[3-(3-phenylphenyl)phenyl]benzene
• IUPAC Traditional name: 1-phenyl-3-[3-(3-phenylphenyl)phenyl]benzene
• Synonyms: m-QUINQUEPHENYL

Database IDs

• CAS Number: 16716-13-5
• EC Number: 240-774-9
• PubChem SID: 162103030
• PubChem CID: 85566

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.562147
• LogD (pH = 7.4): 8.562147
• Log P: 8.562147
• Molar Refractivity: 126.6028 cm^3
• Polarizability: 55.002842 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 113°C