4-(4-phenylphenyl)pyridine

• ChemBase ID: 87833
• Molecular Formular: C17H13N
• Molecular Mass: 231.29182
• Monoisotopic Mass: 231.10479942
• SMILES: n1ccc(cc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)c1ccncc1
• InChI: InChI=1S/C17H13N/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)17-10-12-18-13-11-17/h1-13H
• InChIKey: HJWMXGICVAFMLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-phenylphenyl)pyridine
• IUPAC Traditional name: 4-(4-phenylphenyl)pyridine
• Synonyms: 4-(Biphenyl-4-yl)pyridine

Database IDs

• MDL Number: MFCD00657901
• PubChem SID: 162074873
• PubChem CID: 26966675

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9281726
• LogD (pH = 7.4): 4.048189
• Log P: 4.050024
• Molar Refractivity: 74.1735 cm^3
• Polarizability: 31.678392 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant