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

• ChemBase ID: 798705
• Molecular Formular: C43H28BrN
• Molecular Mass: 638.59312
• Monoisotopic Mass: 637.1405119
• SMILES: c1ccc2c(c1)n(c1ccc(cc21)c1cc2C(c3c(c2cc1)ccc(c3)Br)(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: Brc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c2ccc(c1)c1ccc2c(c1)c1ccccc1n2c1ccccc1
• InChI: InChI=1S/C43H28BrN/c44-33-22-24-36-35-23-20-30(27-39(35)43(40(36)28-33,31-12-4-1-5-13-31)32-14-6-2-7-15-32)29-21-25-42-38(26-29)37-18-10-11-19-41(37)45(42)34-16-8-3-9-17-34/h1-28H
• InChIKey: LMGSKQRCGSBPIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1207176-74-6

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.008945
• LogD (pH = 7.4): 12.008945
• Log P: 12.008945
• Molar Refractivity: 199.2539 cm^3
• Polarizability: 78.41703 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%