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

• ChemBase ID: 180560
• Molecular Formular: C18H12BrN
• Molecular Mass: 322.19858
• Monoisotopic Mass: 321.01531139
• SMILES: n1(c2ccccc2c2ccccc12)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)n1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C18H12BrN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H
• InChIKey: XSDKKRKTDZMKCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(4-bromophenyl)-9H-carbazole
• IUPAC Traditional name: 9-(4-bromophenyl)carbazole
• Synonyms: 9-(4-Bromophenyl)-9H-carbazole; 9-(4-bromophenyl)carbazole

Database IDs

• CAS Number: 57102-42-8
• PubChem SID: 164236470
• PubChem CID: 22361390

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.741273
• LogD (pH = 7.4): 5.741273
• Log P: 5.741273
• Molar Refractivity: 96.0886 cm^3
• Polarizability: 35.98568 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%