10-(4-bromophenyl)-N,N-diphenylanthracen-9-amine

• ChemBase ID: 180522
• Molecular Formular: C32H22BrN
• Molecular Mass: 500.42778
• Monoisotopic Mass: 499.09356171
• SMILES: c1cccc2c(c3ccccc3c(c12)N(c1ccccc1)c1ccccc1)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)c1c2ccccc2c(c2c1cccc2)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C32H22BrN/c33-24-21-19-23(20-22-24)31-27-15-7-9-17-29(27)32(30-18-10-8-16-28(30)31)34(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-22H
• InChIKey: LCGILCUYVUOKPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(4-bromophenyl)-N,N-diphenylanthracen-9-amine
• IUPAC Traditional name: 10-(4-bromophenyl)-N,N-diphenylanthracen-9-amine
• Synonyms: 9-Anthracenamine, 10-(4-bromophenyl)-N,N-diphenyl-

Database IDs

• CAS Number: 1314040-83-9
• PubChem SID: 164236432
• PubChem CID: 71753085

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.689737
• LogD (pH = 7.4): 9.689737
• Log P: 9.689737
• Molar Refractivity: 144.8779 cm^3
• Polarizability: 59.419807 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false