2-[[2-[2-[4-[7-Tert-butyl-19-(13-tert-butyl-10-heptadecan-9-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)-24-[4-[2-[4-(2-cyanoprop-1-enyl)cyclopenta-1,3-dien-1-yl]ethenyl]phenyl]-12-pentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaenyl]phenyl]ethenyl]-2,3-dihydrothiophen-5-yl]methylidene]propanedinitrile

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-[[2-[2-[4-[7-Tert-butyl-19-(13-tert-butyl-10-heptadecan-9-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)-24-[4-[2-[4-(2-cyanoprop-1-enyl)cyclopenta-1,3-dien-1-yl]ethenyl]phenyl]-12-pentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaenyl]phenyl]ethenyl]-2,3-dihydrothiophen-5-yl]methylidene]propanedinitrile
• 英文别名: 2-[[2-[2-[4-[7-tert-butyl-19-(13-tert-butyl-10-heptadecan-9-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)-24-[4-[2-[4-(2-cyanoprop-1-enyl)cyclopenta-1,3-dien-1-yl]ethenyl]phenyl]-12-pentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaenyl]phenyl]ethenyl]-2,3-dihydrothiophen-5-yl]methylidene]propanedinitrile
• 化学式: C₉₇H₁₀₇N₃S
• 分子量: 1347.0
• InChiKey: PWPHLCJLOVDKLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.4
• 重原子数：
  101
• 可旋转键数：
  26
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  96.7
• 氢给体数：
  0
• 氢受体数：
  4