2,4-diphenylpyridine

• ChemBase ID: 294147
• Molecular Formular: C17H13N
• Molecular Mass: 231.29182
• Monoisotopic Mass: 231.10479942
• SMILES: c1(c2ccccc2)nccc(c2ccccc2)c1
• Canonical SMILES: c1ccc(cc1)c1ccnc(c1)c1ccccc1
• InChI: InChI=1S/C17H13N/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15/h1-13H
• InChIKey: YASXBDJBCBUIHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-diphenylpyridine
• IUPAC Traditional name: 2,4-diphenylpyridine
• Synonyms: 2,4-Diphenylpyridine

Database IDs

• CAS Number: 26274-35-1
• MDL Number: MFCD00972966
• PubChem SID: 180679678
• PubChem CID: 42014

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.400955
• LogD (pH = 7.4): 4.4354157
• Log P: 4.4358745
• Molar Refractivity: 73.8015 cm^3
• Polarizability: 31.686068 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%