5,5,12,12,18,18,29,29,36,36,42-Undecamethyl-42-[[3-(7,7,18,18,25,25,36,36-octamethyl-32-phenyl-14,32-diazanonacyclo[19.15.0.03,19.04,17.06,15.08,13.022,35.024,33.026,31]hexatriaconta-1(21),2,4,6(15),8,10,12,16,19,22,24(33),26,28,30,34-pentadecaen-14-yl)phenyl]methyl]-1,25-diazatridecacyclo[35.11.1.113,17.02,35.04,33.06,32.08,30.09,28.011,26.019,24.041,49.043,48.025,50]pentaconta-2(35),3,6,8(30),9,11(26),13,15,17(50),19,21,23,27,31,33,37(49),38,40,43,45,47-henicosaene

• 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: 5,5,12,12,18,18,29,29,36,36,42-Undecamethyl-42-[[3-(7,7,18,18,25,25,36,36-octamethyl-32-phenyl-14,32-diazanonacyclo[19.15.0.03,19.04,17.06,15.08,13.022,35.024,33.026,31]hexatriaconta-1(21),2,4,6(15),8,10,12,16,19,22,24(33),26,28,30,34-pentadecaen-14-yl)phenyl]methyl]-1,25-diazatridecacyclo[35.11.1.113,17.02,35.04,33.06,32.08,30.09,28.011,26.019,24.041,49.043,48.025,50]pentaconta-2(35),3,6,8(30),9,11(26),13,15,17(50),19,21,23,27,31,33,37(49),38,40,43,45,47-henicosaene
• 英文别名: 5,5,12,12,18,18,29,29,36,36,42-undecamethyl-42-[[3-(7,7,18,18,25,25,36,36-octamethyl-32-phenyl-14,32-diazanonacyclo[19.15.0.03,19.04,17.06,15.08,13.022,35.024,33.026,31]hexatriaconta-1(21),2,4,6(15),8,10,12,16,19,22,24(33),26,28,30,34-pentadecaen-14-yl)phenyl]methyl]-1,25-diazatridecacyclo[35.11.1.113,17.02,35.04,33.06,32.08,30.09,28.011,26.019,24.041,49.043,48.025,50]pentaconta-2(35),3,6,8(30),9,11(26),13,15,17(50),19,21,23,27,31,33,37(49),38,40,43,45,47-henicosaene
• 化学式: C₁₁₄H₁₀₂N₄
• 分子量: 1528.0
• InChiKey: LLTGSLVMLMKPBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.5
• 重原子数：
  118
• 可旋转键数：
  4
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4