4-phenyl-N-(4-phenylphenyl)aniline

• ChemBase ID: 796646
• Molecular Formular: C24H19N
• Molecular Mass: 321.41436
• Monoisotopic Mass: 321.15174961
• SMILES: N(c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)Nc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C24H19N/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,25H
• InChIKey: JAUCIDPGGHZXRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-N-(4-phenylphenyl)aniline
• IUPAC Traditional name: 4-phenyl-N-(4-phenylphenyl)aniline
• Synonyms: Bis-biphenyl-4-yl-aMine

Database IDs

• CAS Number: 102113-98-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.7076187
• LogD (pH = 7.4): 6.707622
• Log P: 6.7076225
• Molar Refractivity: 104.8166 cm^3
• Polarizability: 43.3654 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%