11,18,37,44-Tetrazaheptadecacyclo[29.21.2.22,5.26,9.232,35.03,27.04,24.07,23.08,20.010,18.012,17.028,53.033,49.034,46.037,45.038,43.050,54]hexaconta-1(52),2(60),3(27),4(24),5(59),6,8,10,12,14,16,20,22,25,28(53),29,31(54),32,34,38,40,42,45,47,50,55,57-heptacosaene-19,36-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 11,18,37,44-Tetrazaheptadecacyclo[29.21.2.22,5.26,9.232,35.03,27.04,24.07,23.08,20.010,18.012,17.028,53.033,49.034,46.037,45.038,43.050,54]hexaconta-1(52),2(60),3(27),4(24),5(59),6,8,10,12,14,16,20,22,25,28(53),29,31(54),32,34,38,40,42,45,47,50,55,57-heptacosaene-19,36-dione
• 英文别名: 11,18,37,44-tetrazaheptadecacyclo[29.21.2.22,5.26,9.232,35.03,27.04,24.07,23.08,20.010,18.012,17.028,53.033,49.034,46.037,45.038,43.050,54]hexaconta-1(52),2(60),3(27),4(24),5(59),6,8,10,12,14,16,20,22,25,28(53),29,31(54),32,34,38,40,42,45,47,50,55,57-heptacosaene-19,36-dione
• 化学式: C₅₆H₂₆N₄O₂
• 分子量: 786.8
• InChiKey: PVVYWOWEELENGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  62
• 可旋转键数：
  0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  4