3-(7-bromo-9,9-dimethyl-9H-fluoren-2-yl)-9-phenyl-9H-carbazole

• ChemBase ID: 798702
• Molecular Formular: C33H24BrN
• Molecular Mass: 514.45436
• Monoisotopic Mass: 513.10921177
• SMILES: c1ccc2c(c1)n(c1ccc(cc21)c1cc2C(c3c(c2cc1)ccc(c3)Br)(C)C)c1ccccc1
• Canonical SMILES: Brc1ccc2c(c1)C(C)(C)c1c2ccc(c1)c1ccc2c(c1)c1ccccc1n2c1ccccc1
• InChI: InChI=1S/C33H24BrN/c1-33(2)29-19-22(12-15-25(29)26-16-14-23(34)20-30(26)33)21-13-17-32-28(18-21)27-10-6-7-11-31(27)35(32)24-8-4-3-5-9-24/h3-20H,1-2H3
• InChIKey: LYOIWHQTWCWWFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(7-bromo-9,9-dimethyl-9H-fluoren-2-yl)-9-phenyl-9H-carbazole
• IUPAC Traditional name: 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
• Synonyms: 3-(7-bromo-9,9-dimethyl-9h-fluoren-2-yl)-9-phenyl-9h-carbazole

Database IDs

• CAS Number: 1186644-43-8

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.741338
• LogD (pH = 7.4): 9.741338
• Log P: 9.741338
• Molar Refractivity: 169.5583 cm^3
• Polarizability: 62.827995 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%