3-(4-bromophenyl)-9-phenyl-9H-carbazole

• ChemBase ID: 289520
• Molecular Formular: C24H16BrN
• Molecular Mass: 398.29454
• Monoisotopic Mass: 397.04661152
• SMILES: Brc1ccc(cc1)c1ccc2n(c3ccccc3c2c1)c1ccccc1
• Canonical SMILES: Brc1ccc(cc1)c1ccc2c(c1)c1ccccc1n2c1ccccc1
• InChI: InChI=1S/C24H16BrN/c25-19-13-10-17(11-14-19)18-12-15-24-22(16-18)21-8-4-5-9-23(21)26(24)20-6-2-1-3-7-20/h1-16H
• InChIKey: JEYLGFCAZBGCMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-bromophenyl)-9-phenyl-9H-carbazole
• IUPAC Traditional name: 3-(4-bromophenyl)-9-phenylcarbazole
• Synonyms: 3-(4-Bromophenyl)-9-phenyl-9H-carbazole

Database IDs

• CAS Number: 1028647-93-9
• MDL Number: MFCD14582939
• PubChem SID: 180675051
• PubChem CID: 51358293

CALCULATED PROPERTIES

• Molar Refractivity: 121.2248 cm^3
• Polarizability: 47.040382 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.2272
• LogD (pH = 7.4): 7.2272
• Log P: 7.2272

PROPERTIES

Product Information

• Purity: 95+%