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

• ChemBase编号: 798702
• 分子式: C33H24BrN
• 平均质量: 514.45436
• 单一同位素质量: 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

名称和登记号

名称

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

登记号

• CAS号: 1186644-43-8

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.741338
• LogD (pH = 7.4): 9.741338
• Log P: 9.741338
• 摩尔折射率: 169.5583 cm^3
• 极化性: 62.827995 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%