1,2-bis{5-[2-(4-ethylbenzene,4-(6-cholesteryl-carbonacidamide-4-yl-1,3-dioxo-1H,3H-benzo[de]isoquinolin))-2-methyl-3-thienyl]}cyclopentene | 887951-73-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 1,2-bis{5-[2-(4-ethylbenzene,4-(6-cholesteryl-carbonacidamide-4-yl-1,3-dioxo-1H,3H-benzo[de]isoquinolin))-2-methyl-3-thienyl]}cyclopentene
• 英文别名: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[[4-[4-[2-[5-[4-[[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]methyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamate
• CAS: 887951-73-7
• 化学式: C₁₀₉H₁₂₈N₄O₈S₂
• 分子量: 1686.37
• InChiKey: ZLHUVYCPOKXVHJ-SQIOIUDLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28.4
• 重原子数：
  123
• 可旋转键数：
  24
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  208
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,2-bis{5-[2-(4-ethylbenzene,4-(6-cholesteryl-carbonacidamide-4-yl-1,3-dioxo-1H,3H-benzo[de]isoquinolin))-2-methyl-3-thienyl]}cyclopentene 生成 [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[[4-[14-[4-[[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]phenyl]-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenyl]methyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamate
  参考文献：
  名称：

  A multiple switching bisthienylethene and its photochromic fluorescent organogelator

  摘要：

  具有胆甾基的多重切换型荧光光致变色双噻吩乙烯桥联萘酰亚胺被合成出来，其有机凝胶剂展现出优异的光响应性和热可逆性能，通过光和热实现。

  DOI：

  10.1039/b515412j
• 作为产物：
  描述：

  [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[[4-[14-[4-[[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]phenyl]-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenyl]methyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamate 生成 1,2-bis{5-[2-(4-ethylbenzene,4-(6-cholesteryl-carbonacidamide-4-yl-1,3-dioxo-1H,3H-benzo[de]isoquinolin))-2-methyl-3-thienyl]}cyclopentene
  参考文献：
  名称：

  A multiple switching bisthienylethene and its photochromic fluorescent organogelator

  摘要：

  具有胆甾基的多重切换型荧光光致变色双噻吩乙烯桥联萘酰亚胺被合成出来，其有机凝胶剂展现出优异的光响应性和热可逆性能，通过光和热实现。

  DOI：

  10.1039/b515412j