9,21,30,42,43,44-Hexaza-18,39-diazoniatridecacyclo[36.4.1.117,22.02,7.08,42.010,18.011,16.019,41.020,40.021,29.023,28.031,39.032,37]tetratetraconta-1(43),2(7),3,5,8,10(18),11(16),12,14,17(44),22,24,26,28,30,32(37),33,35,38-nonadecaene-4,13,25,34-tetramine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 9,21,30,42,43,44-Hexaza-18,39-diazoniatridecacyclo[36.4.1.117,22.02,7.08,42.010,18.011,16.019,41.020,40.021,29.023,28.031,39.032,37]tetratetraconta-1(43),2(7),3,5,8,10(18),11(16),12,14,17(44),22,24,26,28,30,32(37),33,35,38-nonadecaene-4,13,25,34-tetramine
• 英文别名: 9,21,30,42,43,44-hexaza-18,39-diazoniatridecacyclo[36.4.1.117,22.02,7.08,42.010,18.011,16.019,41.020,40.021,29.023,28.031,39.032,37]tetratetraconta-1(43),2(7),3,5,8,10(18),11(16),12,14,17(44),22,24,26,28,30,32(37),33,35,38-nonadecaene-4,13,25,34-tetramine
• 化学式: C36H24N12+2
• 分子量: 624.7
• InChiKey: ZLPFHPDTULNAHH-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  48
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  168
• 氢给体数：
  4
• 氢受体数：
  6