69,70,71,72-Tetrazaheptadecacyclo[52.14.1.13,18.120,35.137,52.04,17.05,10.011,16.021,34.022,27.028,33.038,51.039,44.045,50.055,68.056,61.062,67]doheptaconta-1(68),2,4(17),5,7,9,11,13,15,18,20,22,24,26,28,30,32,34,36,38(51),39,41,43,45,47,49,52,54,56,58,60,62,64,66-tetratriacontaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 69,70,71,72-Tetrazaheptadecacyclo[52.14.1.13,18.120,35.137,52.04,17.05,10.011,16.021,34.022,27.028,33.038,51.039,44.045,50.055,68.056,61.062,67]doheptaconta-1(68),2,4(17),5,7,9,11,13,15,18,20,22,24,26,28,30,32,34,36,38(51),39,41,43,45,47,49,52,54,56,58,60,62,64,66-tetratriacontaene
• 英文别名: 69,70,71,72-tetrazaheptadecacyclo[52.14.1.13,18.120,35.137,52.04,17.05,10.011,16.021,34.022,27.028,33.038,51.039,44.045,50.055,68.056,61.062,67]doheptaconta-1(68),2,4(17),5,7,9,11,13,15,18,20,22,24,26,28,30,32,34,36,38(51),39,41,43,45,47,49,52,54,56,58,60,62,64,66-tetratriacontaene
• 化学式: C₆₈H₄₀N₄
• 分子量: 913.1
• InChiKey: OUCQCDHNRXYGJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.4
• 重原子数：
  72
• 可旋转键数：
  0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.6
• 氢给体数：
  4
• 氢受体数：
  2