47-Cyclohexa-1,5-dien-1-yl-6,6,17,17,23,23,34,34,40,40,51,51-dodecamethyl-13,30-diphenyl-13,30,47-triazatridecacyclo[34.15.0.02,18.03,16.05,14.07,12.019,35.020,33.022,31.024,29.037,50.039,48.041,46]henpentaconta-1,3,5(14),7,9,11,15,18,20,22(31),24,26,28,32,35,37(50),38,41,43,45-icosaene

• 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: 47-Cyclohexa-1,5-dien-1-yl-6,6,17,17,23,23,34,34,40,40,51,51-dodecamethyl-13,30-diphenyl-13,30,47-triazatridecacyclo[34.15.0.02,18.03,16.05,14.07,12.019,35.020,33.022,31.024,29.037,50.039,48.041,46]henpentaconta-1,3,5(14),7,9,11,15,18,20,22(31),24,26,28,32,35,37(50),38,41,43,45-icosaene
• 英文别名: 47-cyclohexa-1,5-dien-1-yl-6,6,17,17,23,23,34,34,40,40,51,51-dodecamethyl-13,30-diphenyl-13,30,47-triazatridecacyclo[34.15.0.02,18.03,16.05,14.07,12.019,35.020,33.022,31.024,29.037,50.039,48.041,46]henpentaconta-1,3,5(14),7,9,11,15,18,20,22(31),24,26,28,32,35,37(50),38,41,43,45-icosaene
• 化学式: C₇₈H₇₃N₃
• 分子量: 1052.4
• InChiKey: KEESBZIXCLDFIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.3
• 重原子数：
  81
• 可旋转键数：
  3
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3