9-{4-[4-(9H-carbazol-9-yl)-2-methylphenyl]-3-methylphenyl}-9H-carbazole

• ChemBase编号: 798703
• 分子式: C38H28N2
• 平均质量: 512.64232
• 单一同位素质量: 512.22524891
• SMILES: c1(cc(c(cc1)c1c(cc(cc1)n1c2c(cccc2)c2c1cccc2)C)C)n1c2c(cccc2)c2c1cccc2
• Canonical SMILES: Cc1cc(ccc1c1ccc(cc1C)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C38H28N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-24H,1-2H3
• InChIKey: LTUJKAYZIMMJEP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-{4-[4-(9H-carbazol-9-yl)-2-methylphenyl]-3-methylphenyl}-9H-carbazole
• IUPAC传统名: 9-{4-[4-(carbazol-9-yl)-2-methylphenyl]-3-methylphenyl}carbazole
• 别名: 4,4'-bis(9-carbazolyl)-2,2'-dimethylbiphenyl

登记号

• CAS号: 120260-01-7

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 10.645863
• LogD (pH = 7.4): 10.645863
• Log P: 10.645863
• 摩尔折射率: 186.0922 cm^3
• 极化性: 71.723305 Å^3
• 极化表面积: 9.86 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 98%