1-phenyl-4-{4-[4-(4-phenylphenyl)phenyl]phenyl}benzene

• ChemBase ID: 110563
• Molecular Formular: C36H26
• Molecular Mass: 458.59164
• Monoisotopic Mass: 458.20345083
• SMILES: c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C36H26/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-23-35(24-20-33)36-25-21-34(22-26-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-26H
• InChIKey: ZEMDSNVUUOCIED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-4-{4-[4-(4-phenylphenyl)phenyl]phenyl}benzene
• IUPAC Traditional name: 1-phenyl-4-{4-[4-(4-phenylphenyl)phenyl]phenyl}benzene
• Synonyms: p-Sexiphenyl; p-HEXAPHENYL; 对六联苯

Database IDs

• CAS Number: 4499-83-6
• EC Number: 224-799-2
• MDL Number: MFCD00039559
• PubChem SID: 162090507
• PubChem CID: 78254

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.2093725
• LogD (pH = 7.4): 10.2093725
• Log P: 10.2093725
• Molar Refractivity: 151.739 cm^3
• Polarizability: 66.155556 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >400°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05215542

MP Biomedicals Rare Chemical collection