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

• ChemBase ID: 180559
• Molecular Formular: C18H12BrN
• Molecular Mass: 322.19858
• Monoisotopic Mass: 321.01531139
• SMILES: n1(c2ccccc2c2ccccc12)c1cc(ccc1)Br
• Canonical SMILES: Brc1cccc(c1)n1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C18H12BrN/c19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-12H
• InChIKey: ZKGHGKNHPPZALY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 185112-61-2
• PubChem SID: 164236469
• PubChem CID: 58690888

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5428
• LogD (pH = 7.4): 5.5428
• Log P: 5.5428
• Molar Refractivity: 96.0886 cm^3
• Polarizability: 35.98668 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false