3-bromo-9-(4-phenylphenyl)-9H-carbazole

• ChemBase ID: 798716
• Molecular Formular: C24H16BrN
• Molecular Mass: 398.29454
• Monoisotopic Mass: 397.04661152
• SMILES: c1ccc2c(c1)n(c1ccc(cc21)Br)c1ccc(cc1)c1ccccc1
• Canonical SMILES: Brc1ccc2c(c1)c1ccccc1n2c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C24H16BrN/c25-19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-16H
• InChIKey: MOCNGNGLTRMQQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-9-(4-phenylphenyl)-9H-carbazole
• IUPAC Traditional name: 3-bromo-9-(4-phenylphenyl)carbazole
• Synonyms: 3-bromo-9-(4-biphenylyl)carbazole

Database IDs

• CAS Number: 894791-46-9

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.3884983
• LogD (pH = 7.4): 7.3884983
• Log P: 7.3884983
• Molar Refractivity: 121.2248 cm^3
• Polarizability: 47.036633 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%