1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

• ChemBase ID: 293735
• Molecular Formular: C30H24N2
• Molecular Mass: 412.52496
• Monoisotopic Mass: 412.19394878
• SMILES: c1(Nc2ccc(c3ccccc3)cc2)ccc(N(c2ccccc2)c2ccccc2)cc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)Nc1ccc(cc1)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H24N2/c1-4-10-24(11-5-1)25-16-18-26(19-17-25)31-27-20-22-30(23-21-27)32(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23,31H
• InChIKey: BMWFGSBSRCFWTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine; N1,N1-diphenyl-N4-(4-phenylphenyl)benzene-1,4-diamine
• IUPAC Traditional name: 1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine; N1,N1-diphenyl-N4-(4-phenylphenyl)benzene-1,4-diamine
• Synonyms: N-Biphenyl-4-yl-N',N'-diphenylbenzene-1,4-diamine

Database IDs

• CAS Number: 880800-19-1
• PubChem SID: 180679266
• PubChem CID: 27281624

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 8.381913
• LogD (pH = 7.4): 8.381957
• Log P: 8.381957
• Molar Refractivity: 132.8409 cm^3
• Polarizability: 52.60122 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 98%