Ethane;20,20,37,37-tetraoxo-38-oxa-20lambda6,37lambda6-dithia-8,15,25,32-tetrazatridecacyclo[21.18.1.16,39.02,21.03,19.04,40.05,17.07,15.09,14.024,32.026,31.034,42.036,41]tritetraconta-1(42),2(21),3(19),4,6(43),7,9,11,13,17,22,24,26,28,30,34,36(41),39-octadecaene-16,33-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: Ethane;20,20,37,37-tetraoxo-38-oxa-20lambda6,37lambda6-dithia-8,15,25,32-tetrazatridecacyclo[21.18.1.16,39.02,21.03,19.04,40.05,17.07,15.09,14.024,32.026,31.034,42.036,41]tritetraconta-1(42),2(21),3(19),4,6(43),7,9,11,13,17,22,24,26,28,30,34,36(41),39-octadecaene-16,33-dione
• 英文别名: ethane;20,20,37,37-tetraoxo-38-oxa-20λ6,37λ6-dithia-8,15,25,32-tetrazatridecacyclo[21.18.1.16,39.02,21.03,19.04,40.05,17.07,15.09,14.024,32.026,31.034,42.036,41]tritetraconta-1(42),2(21),3(19),4,6(43),7,9,11,13,17,22,24,26,28,30,34,36(41),39-octadecaene-16,33-dione
• 化学式: C40H24N4O7S2
• 分子量: 736.8
• InChiKey: NYQVXIWZFLUAEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.52
• 重原子数：
  53
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  164
• 氢给体数：
  0
• 氢受体数：
  9