4-[4-(diphenylamino)phenyl]-N-phenylaniline

• ChemBase ID: 289337
• Molecular Formular: C30H24N2
• Molecular Mass: 412.52496
• Monoisotopic Mass: 412.19394878
• SMILES: c1(c2ccc(Nc3ccccc3)cc2)ccc(N(c2ccccc2)c2ccccc2)cc1
• Canonical SMILES: c1ccc(cc1)Nc1ccc(cc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H24N2/c1-4-10-26(11-5-1)31-27-20-16-24(17-21-27)25-18-22-30(23-19-25)32(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23,31H
• InChIKey: XHPBZHOZZVRDHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(diphenylamino)phenyl]-N-phenylaniline
• IUPAC Traditional name: 4-[4-(diphenylamino)phenyl]-N-phenylaniline
• Synonyms: N4,N4,N4'-Triphenyl-[1,1'-biphenyl]-4,4'-diamine

Database IDs

• CAS Number: 167218-30-6
• PubChem SID: 180674868
• PubChem CID: 22013295

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 8.38195
• LogD (pH = 7.4): 8.381957
• Log P: 8.381957
• Molar Refractivity: 132.8409 cm^3
• Polarizability: 52.599922 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%