1,3,6,8-tetrabromo-9H-carbazole

• ChemBase编号: 178257
• 分子式: C12H5Br4N
• 平均质量: 482.7908
• 单一同位素质量: 478.71554717
• SMILES: c1c(cc2c(c1Br)[nH]c1c2cc(cc1Br)Br)Br
• Canonical SMILES: Brc1cc(Br)c2c(c1)c1cc(Br)cc(c1[nH]2)Br
• InChI: InChI=1S/C12H5Br4N/c13-5-1-7-8-2-6(14)4-10(16)12(8)17-11(7)9(15)3-5/h1-4,17H
• InChIKey: FNHISDQCWYSMTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3,6,8-tetrabromo-9H-carbazole
• IUPAC传统名: 1,3,6,8-tetrabromo-9H-carbazole
• 别名: 1,3,6,8-Tetrabromo-9H-carbazole; NSC 88024; 1,3,6,8-Tetrabromocarbazole

登记号

• CAS号: 55119-09-0
• PubChem SID: 164234167
• PubChem CID: 258744

理论计算性质

• Acid pKa: 12.975122
• 质子受体: 0
• 质子供体: 1
• LogD (pH = 5.5): 6.1658964
• LogD (pH = 7.4): 6.165895
• Log P: 6.1658964
• 摩尔折射率: 83.9634 cm^3
• 极化性: 34.490604 Å^3
• 极化表面积: 15.79 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - T291330

A 9H-carbazole derivatives as potential immunomodulating agents.

参考文献

• Duran-Galvan, M., et al.: Tetrahedron, 66, 7707 (2010)