Ethane;20,20,37,37-tetraoxo-20lambda6,37lambda6-dithia-8,25,32-triaza-15-azoniatridecacyclo[21.17.1.16,38.02,21.03,19.04,39.05,17.07,15.09,14.024,32.026,31.034,41.036,40]dotetraconta-1(41),2,4(39),5(17),6,8,10,12,14,18,21,23,26,28,30,34,36(40),38(42)-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-20lambda6,37lambda6-dithia-8,25,32-triaza-15-azoniatridecacyclo[21.17.1.16,38.02,21.03,19.04,39.05,17.07,15.09,14.024,32.026,31.034,41.036,40]dotetraconta-1(41),2,4(39),5(17),6,8,10,12,14,18,21,23,26,28,30,34,36(40),38(42)-octadecaene-16,33-dione
• 英文别名: ethane;20,20,37,37-tetraoxo-20λ6,37λ6-dithia-8,25,32-triaza-15-azoniatridecacyclo[21.17.1.16,38.02,21.03,19.04,39.05,17.07,15.09,14.024,32.026,31.034,41.036,40]dotetraconta-1(41),2,4(39),5(17),6,8,10,12,14,18,21,23,26,28,30,34,36(40),38(42)-octadecaene-16,33-dione
• 化学式: C42H31N4O6S2+
• 分子量: 751.9
• InChiKey: WBHUKDQQKYXDCU-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  8.01
• 重原子数：
  54
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  150
• 氢给体数：
  1
• 氢受体数：
  8