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

• ChemBase编号: 798704
• 分子式: C33H23BrFN
• 平均质量: 532.4448232
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 3-(7-bromo-9,9-dimethyl-9H-fluoren-2-yl)-9-(4-fluorophenyl)-9H-carbazole
• IUPAC传统名: 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
• 别名: 3-(7-bromo-9,9-dimethyl-9h-fluoren-2-yl)-9-(4-fluorophenyl)-9h-carbazole

登记号

• CAS号: 1207176-72-4

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.88404
• LogD (pH = 7.4): 9.88404
• Log P: 9.88404
• 摩尔折射率: 169.7747 cm^3
• 极化性: 62.344093 Å^3
• 极化表面积: 4.93 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 98%