4-(4-bromophenyl)-N,N-diphenylaniline

• ChemBase ID: 289338
• Molecular Formular: C24H18BrN
• Molecular Mass: 400.31042
• Monoisotopic Mass: 399.06226158
• SMILES: Brc1ccc(c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
• Canonical SMILES: Brc1ccc(cc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H18BrN/c25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-18H
• InChIKey: NKCKVJVKWGWKRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-bromophenyl)-N,N-diphenylaniline
• IUPAC Traditional name: 4-(4-bromophenyl)-N,N-diphenylaniline
• Synonyms: 4'-Bromo-N,N-diphenyl-[1,1'-biphenyl]-4-amine

Database IDs

• CAS Number: 202831-65-0
• PubChem SID: 180674869
• PubChem CID: 11315550

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.710784
• LogD (pH = 7.4): 7.710784
• Log P: 7.710784
• Molar Refractivity: 111.9775 cm^3
• Polarizability: 44.24937 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%