N,N-bis(4-bromophenyl)-4-phenylaniline

• ChemBase ID: 798647
• Molecular Formular: C24H17Br2N
• Molecular Mass: 479.20648
• Monoisotopic Mass: 476.97277355
• SMILES: c1c(N(c2ccc(cc2)Br)c2ccc(cc2)c2ccccc2)ccc(c1)Br
• Canonical SMILES: Brc1ccc(cc1)N(c1ccc(cc1)Br)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C24H17Br2N/c25-20-8-14-23(15-9-20)27(24-16-10-21(26)11-17-24)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h1-17H
• InChIKey: BKJULDLPGWGCHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(4-bromophenyl)-4-phenylaniline
• IUPAC Traditional name: N,N-bis(4-bromophenyl)-4-phenylaniline
• Synonyms: 4,4'-dibromo-4''-phenyltriphenylamine

Database IDs

• CAS Number: 884530-69-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.479537
• LogD (pH = 7.4): 8.479537
• Log P: 8.479537
• Molar Refractivity: 119.6003 cm^3
• Polarizability: 46.89613 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%