4-{4-[bis(4-methylphenyl)amino]phenyl}-N,N-bis(4-methylphenyl)aniline

• ChemBase ID: 795822
• Molecular Formular: C40H36N2
• Molecular Mass: 544.72724
• Monoisotopic Mass: 544.28784916
• SMILES: c1(ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C)N(c1ccc(cc1)C)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C
• InChI: InChI=1S/C40H36N2/c1-29-5-17-35(18-6-29)41(36-19-7-30(2)8-20-36)39-25-13-33(14-26-39)34-15-27-40(28-16-34)42(37-21-9-31(3)10-22-37)38-23-11-32(4)12-24-38/h5-28H,1-4H3
• InChIKey: MVIXNQZIMMIGEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{4-[bis(4-methylphenyl)amino]phenyl}-N,N-bis(4-methylphenyl)aniline
• IUPAC Traditional name: 4-{4-[bis(4-methylphenyl)amino]phenyl}-N,N-bis(4-methylphenyl)aniline
• Synonyms: N4,N4,N4',N4'-Tetra-p-tolyl-[1,1'-biphenyl]-4,4'-diaMine

Database IDs

• CAS Number: 76185-65-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 12.317277
• LogD (pH = 7.4): 12.317277
• Log P: 12.317277
• Molar Refractivity: 177.68 cm^3
• Polarizability: 69.28449 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%