30,39-Dimethyl-4,13,26,35,46,47-hexaza-22,44-diazoniatridecacyclo[23.19.1.13,23.15,43.121,27.04,12.06,11.014,22.015,20.026,34.028,33.036,44.037,42]octatetraconta-5,7,9,11,13,15(20),16,18,21,27(47),28(33),29,31,34,36(44),37(42),38,40,43(46)-nonadecaene-8,17-diamine

• 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: 30,39-Dimethyl-4,13,26,35,46,47-hexaza-22,44-diazoniatridecacyclo[23.19.1.13,23.15,43.121,27.04,12.06,11.014,22.015,20.026,34.028,33.036,44.037,42]octatetraconta-5,7,9,11,13,15(20),16,18,21,27(47),28(33),29,31,34,36(44),37(42),38,40,43(46)-nonadecaene-8,17-diamine
• 英文别名: 30,39-dimethyl-4,13,26,35,46,47-hexaza-22,44-diazoniatridecacyclo[23.19.1.13,23.15,43.121,27.04,12.06,11.014,22.015,20.026,34.028,33.036,44.037,42]octatetraconta-5,7,9,11,13,15(20),16,18,21,27(47),28(33),29,31,34,36(44),37(42),38,40,43(46)-nonadecaene-8,17-diamine
• 化学式: C42H34N10+2
• 分子量: 678.8
• InChiKey: AKNOVCZSVXJNAO-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  52
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  4