17,28-Diaza-7-azoniatridecacyclo[24.16.2.22,5.18,12.129,33.03,22.04,19.06,17.023,43.028,39.040,44.016,46.037,45]octatetraconta-1(42),4(19),5,7,9,11,13,15,20,23(43),24,29,31,33(45),34,36,38,40,47-nonadecaene-18,27-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 17,28-Diaza-7-azoniatridecacyclo[24.16.2.22,5.18,12.129,33.03,22.04,19.06,17.023,43.028,39.040,44.016,46.037,45]octatetraconta-1(42),4(19),5,7,9,11,13,15,20,23(43),24,29,31,33(45),34,36,38,40,47-nonadecaene-18,27-dione
• 英文别名: 17,28-diaza-7-azoniatridecacyclo[24.16.2.22,5.18,12.129,33.03,22.04,19.06,17.023,43.028,39.040,44.016,46.037,45]octatetraconta-1(42),4(19),5,7,9,11,13,15,20,23(43),24,29,31,33(45),34,36,38,40,47-nonadecaene-18,27-dione
• 化学式: C45H28N3O2+
• 分子量: 642.7
• InChiKey: QJEIXCSMJVEJMK-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  50
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  2