4-[33-(4-Cyanophenyl)-5,5,19,26,26,40,40-heptamethyl-12,33-diazaundecacyclo[25.15.1.16,10.02,25.04,23.011,20.013,18.031,43.032,41.034,39.022,44]tetratetraconta-1(42),2(25),3,6,8,10(44),11(20),13,15,17,21,23,27,29,31(43),32(41),34,36,38-nonadecaen-12-yl]benzonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-[33-(4-Cyanophenyl)-5,5,19,26,26,40,40-heptamethyl-12,33-diazaundecacyclo[25.15.1.16,10.02,25.04,23.011,20.013,18.031,43.032,41.034,39.022,44]tetratetraconta-1(42),2(25),3,6,8,10(44),11(20),13,15,17,21,23,27,29,31(43),32(41),34,36,38-nonadecaen-12-yl]benzonitrile
• 英文别名: 4-[33-(4-cyanophenyl)-5,5,19,26,26,40,40-heptamethyl-12,33-diazaundecacyclo[25.15.1.16,10.02,25.04,23.011,20.013,18.031,43.032,41.034,39.022,44]tetratetraconta-1(42),2(25),3,6,8,10(44),11(20),13,15,17,21,23,27,29,31(43),32(41),34,36,38-nonadecaen-12-yl]benzonitrile
• 化学式: C₆₃H₄₈N₄
• 分子量: 861.1
• InChiKey: XMSWXPPKPLJHQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.5
• 重原子数：
  67
• 可旋转键数：
  2
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54.1
• 氢给体数：
  0
• 氢受体数：
  4