3,6-dibromo-9-(4-methylphenyl)-9H-carbazole

• ChemBase ID: 798711
• Molecular Formular: C19H13Br2N
• Molecular Mass: 415.12122
• Monoisotopic Mass: 412.94147342
• SMILES: c1c(cc2c(c1)n(c1ccc(cc21)Br)c1ccc(cc1)C)Br
• Canonical SMILES: Cc1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)Br)Br
• InChI: InChI=1S/C19H13Br2N/c1-12-2-6-15(7-3-12)22-18-8-4-13(20)10-16(18)17-11-14(21)5-9-19(17)22/h2-11H,1H3
• InChIKey: ZLCMXHALWTYHOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dibromo-9-(4-methylphenyl)-9H-carbazole
• IUPAC Traditional name: 3,6-dibromo-9-(4-methylphenyl)carbazole
• Synonyms: 3,6-dibromo-9-(4-methylphenyl)-9h-carbazole

Database IDs

• CAS Number: 357437-74-2

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.023447
• LogD (pH = 7.4): 7.023447
• Log P: 7.023447
• Molar Refractivity: 108.7526 cm^3
• Polarizability: 40.369953 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%