3,4-diphenylaniline

• ChemBase ID: 92357
• Molecular Formular: C18H15N
• Molecular Mass: 245.3184
• Monoisotopic Mass: 245.12044949
• SMILES: Nc1cc(c(cc1)c1ccccc1)c1ccccc1
• Canonical SMILES: Nc1ccc(c(c1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15N/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-13H,19H2
• InChIKey: SGNQTSWLIUHTQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-diphenylaniline
• IUPAC Traditional name: 3,4-diphenylaniline
• Synonyms: 3,4-Diphenylaniline

Database IDs

• MDL Number: MFCD08543453
• PubChem SID: 162079055
• PubChem CID: 350075

CALCULATED PROPERTIES

• LogD (pH = 5.5): 4.420599
• LogD (pH = 7.4): 4.438537
• Log P: 4.438771
• Molar Refractivity: 81.0308 cm^3
• Polarizability: 33.736412 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1