9-(2-(3-(9H-carbazol-9-yl)-2-(oxiran-2-ylmethoxy)propoxy)ethyl)-9H-carbazole | 1071085-14-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 9-(2-(3-(9H-carbazol-9-yl)-2-(oxiran-2-ylmethoxy)propoxy)ethyl)-9H-carbazole
• CAS: 1071085-14-7
• 化学式: C₃₂H₃₀N₂O₃
• 分子量: 490.602
• InChiKey: LHEDNWYXLUOQHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  40.85
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  双酚A 、 9-(2-(3-(9H-carbazol-9-yl)-2-(oxiran-2-ylmethoxy)propoxy)ethyl)-9H-carbazole 在 三乙胺 作用下， 以 氯苯 为溶剂， 反应 28.0h， 以70.3%的产率得到2,2-bis{4-[2-hydroxy-9-(carbazol-9-yl)-5-(carbazol-9yl-methyl)-4,7-dioxanonyloxy]phenyl}propane
  参考文献：
  名称：

  Photoinduced Optical Functionalism of Branched Azophenylcarbazoles in Molecular Glass Matrices

  摘要：

  A new guest-host composition of 3-(4-nitrophenyl) azo-9-(2-ethyl) hexyl-2-(2-ethyl) hexyloxycarbazole as chromophore and 2,2-bis{4-[2-hydroxy-9-(carbazol-9-yl)-5-(carbazol-9-methyl)-4,7-dioxanonyloxy] phenyl} propane (molecular glass) as host for all-optical poling application was developed and investigated. A comparison between molecular glass and commonly used bisphenol Z polycarbonate as host showed a slightly better ability for the molecular glass to keep the azophenylcarbazole molecules oriented. Erasure while reading the non-centrosymmetry created is demonstrated and explained. Using an adopted model orientational diffusion coefficient, lifetime of cis isomer and probabilities of redistribution were evaluated.

  DOI：

  10.1080/15421406.2012.635936
• 作为产物：
  描述：

  1,6-di(carbazol-9-yl)-4-oxa-2-hexanol 、 环氧氯丙烷 在 potassium carbonate 、 potassium hydroxide 作用下， 以 正丁醇 为溶剂， 以57.1%的产率得到9-(2-(3-(9H-carbazol-9-yl)-2-(oxiran-2-ylmethoxy)propoxy)ethyl)-9H-carbazole
  参考文献：
  名称：

  Photoinduced Optical Functionalism of Branched Azophenylcarbazoles in Molecular Glass Matrices

  摘要：

  A new guest-host composition of 3-(4-nitrophenyl) azo-9-(2-ethyl) hexyl-2-(2-ethyl) hexyloxycarbazole as chromophore and 2,2-bis{4-[2-hydroxy-9-(carbazol-9-yl)-5-(carbazol-9-methyl)-4,7-dioxanonyloxy] phenyl} propane (molecular glass) as host for all-optical poling application was developed and investigated. A comparison between molecular glass and commonly used bisphenol Z polycarbonate as host showed a slightly better ability for the molecular glass to keep the azophenylcarbazole molecules oriented. Erasure while reading the non-centrosymmetry created is demonstrated and explained. Using an adopted model orientational diffusion coefficient, lifetime of cis isomer and probabilities of redistribution were evaluated.

  DOI：

  10.1080/15421406.2012.635936