Ethane;2,15,28,41-tetramethyl-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(52),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50-hexacosaene

• 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: Ethane;2,15,28,41-tetramethyl-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(52),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50-hexacosaene
• 英文别名: ethane;2,15,28,41-tetramethyl-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(52),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50-hexacosaene
• 化学式: C64H64N4
• 分子量: 889.2
• InChiKey: WFSNEXNRUNLALK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.52
• 重原子数：
  68
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  55.6
• 氢给体数：
  4
• 氢受体数：
  2