3,6,9,16,19,22,29,32,35,42,45,48,55,56,59,62-hexadecazaheptadecacyclo[48.2.2.211,14.224,27.237,40.15,46.17,18.120,31.133,44.02,49.04,47.08,17.010,15.021,30.023,28.034,43.036,41]tetrahexaconta-1(52),2,4(47),5(55),6,8(17),10(15),12,18,20(59),21,23,25,27,31,33(56),37,39,41,43,45,50-docosaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3,6,9,16,19,22,29,32,35,42,45,48,55,56,59,62-hexadecazaheptadecacyclo[48.2.2.211,14.224,27.237,40.15,46.17,18.120,31.133,44.02,49.04,47.08,17.010,15.021,30.023,28.034,43.036,41]tetrahexaconta-1(52),2,4(47),5(55),6,8(17),10(15),12,18,20(59),21,23,25,27,31,33(56),37,39,41,43,45,50-docosaene
• 化学式: C₄₈H₃₆N₁₆
• 分子量: 836.9
• InChiKey: QIMXICTXKAFJCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  64
• 可旋转键数：
  0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  196
• 氢给体数：
  6
• 氢受体数：
  10