N-{12-[(E)-3-(2-{4-[2,9-Bis-(2,6-diisopropyl-phenyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydro-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinolin-5-yloxy]-phenyl}-ethylcarbamoyl)-acryloylamino]-dodecyl}-succinamic acid pyren-1-ylmethyl ester | 869276-79-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N-{12-[(E)-3-(2-{4-[2,9-Bis-(2,6-diisopropyl-phenyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydro-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinolin-5-yloxy]-phenyl}-ethylcarbamoyl)-acryloylamino]-dodecyl}-succinamic acid pyren-1-ylmethyl ester
• CAS: 869276-79-9
• 化学式: C₉₃H₉₃N₅O₁₀
• 分子量: 1440.79
• InChiKey: DFIGGYPOZBVFJB-JQOKOOLQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.39
• 重原子数：
  108.0
• 可旋转键数：
  31.0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  197.59
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  N-{12-[(E)-3-(2-{4-[2,9-Bis-(2,6-diisopropyl-phenyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydro-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinolin-5-yloxy]-phenyl}-ethylcarbamoyl)-acryloylamino]-dodecyl}-succinamic acid pyren-1-ylmethyl ester 以 二氯甲烷 为溶剂， 反应 0.33h， 以60%的产率得到N-{12-[(Z)-3-(2-{4-[2,9-Bis-(2,6-diisopropyl-phenyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydro-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinolin-5-yloxy]-phenyl}-ethylcarbamoyl)-acryloylamino]-dodecyl}-succinamic acid pyren-1-ylmethyl ester
  参考文献：
  名称：

  Energy Transfer Switching in a Bistable Molecular Machine

  摘要：

  [GRAPHICS]A novel [2]rotaxane, containing pyrene and perylene bisimide as both stoppers and photoactive units, has been prepared. The shuttling of the protonated macrocycle switched the energy transfer (EN) from a pyrene moiety to a perylene moiety, which resulted in changes of fluorescence of the perylene moiety.

  DOI：

  10.1021/ol051567t
• 作为产物：
  描述：

  N-{12-[(Z)-3-(2-{4-[2,9-Bis-(2,6-diisopropyl-phenyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydro-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinolin-5-yloxy]-phenyl}-ethylcarbamoyl)-acryloylamino]-dodecyl}-succinamic acid pyren-1-ylmethyl ester 以 1,1,2,2-四氯乙烷 为溶剂， 反应 48.0h， 以90%的产率得到N-{12-[(E)-3-(2-{4-[2,9-Bis-(2,6-diisopropyl-phenyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydro-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinolin-5-yloxy]-phenyl}-ethylcarbamoyl)-acryloylamino]-dodecyl}-succinamic acid pyren-1-ylmethyl ester
  参考文献：
  名称：

  Energy Transfer Switching in a Bistable Molecular Machine

  摘要：

  [GRAPHICS]A novel [2]rotaxane, containing pyrene and perylene bisimide as both stoppers and photoactive units, has been prepared. The shuttling of the protonated macrocycle switched the energy transfer (EN) from a pyrene moiety to a perylene moiety, which resulted in changes of fluorescence of the perylene moiety.

  DOI：

  10.1021/ol051567t