3-(7-bromo-9,9-dimethyl-9H-fluoren-2-yl)-9-(4-fluorophenyl)-9H-carbazole

• ChemBase ID: 798704
• Molecular Formular: C33H23BrFN
• Molecular Mass: 532.4448232
• Monoisotopic Mass: 531.09978996
• SMILES: c1ccc2c(c1)n(c1ccc(cc21)c1cc2C(c3c(c2cc1)ccc(c3)Br)(C)C)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)n1c2ccc(cc2c2c1cccc2)c1ccc2c(c1)C(C)(C)c1c2ccc(c1)Br
• InChI: InChI=1S/C33H23BrFN/c1-33(2)29-18-21(7-14-25(29)26-15-9-22(34)19-30(26)33)20-8-16-32-28(17-20)27-5-3-4-6-31(27)36(32)24-12-10-23(35)11-13-24/h3-19H,1-2H3
• InChIKey: ABYHGIVZASXIAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(7-bromo-9,9-dimethyl-9H-fluoren-2-yl)-9-(4-fluorophenyl)-9H-carbazole
• IUPAC Traditional name: 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
• Synonyms: 3-(7-bromo-9,9-dimethyl-9h-fluoren-2-yl)-9-(4-fluorophenyl)-9h-carbazole

Database IDs

• CAS Number: 1207176-72-4

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.88404
• LogD (pH = 7.4): 9.88404
• Log P: 9.88404
• Molar Refractivity: 169.7747 cm^3
• Polarizability: 62.344093 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%