(E)-2-((4-(2-(4-(dicyanomethylene)-6-methyl-4H-pyran-2-yl)vinyl)phenyl)(methyl)amino)ethyl 4-(2-(2-hydroxyphenyl)-4,5-diphenyl-1H-imidazol-1-yl)benzoate | 1159395-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-2-((4-(2-(4-(dicyanomethylene)-6-methyl-4H-pyran-2-yl)vinyl)phenyl)(methyl)amino)ethyl 4-(2-(2-hydroxyphenyl)-4,5-diphenyl-1H-imidazol-1-yl)benzoate
• CAS: 1159395-32-0
• 化学式: C₄₈H₃₇N₅O₄
• 分子量: 747.853
• InChiKey: WXSQCTXIEGHMNB-LGUFXXKBSA-N

物化性质

• 沸点：
  900.4±75.0 °C(predicted)
• 密度：
  1.18±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.05
• 重原子数：
  57.0
• 可旋转键数：
  11.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  124.4
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  4-[2-(4-methoxyphenyl)-4,5-diphenylimidazole-1-yl]-benzoic acid 、 (E)-2-(2-(4-((2-hydroxyethyl)(methyl)amino)styryl)-6-methyl-4H-pyran-4-ylidene)malononitrile 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以43%的产率得到(E)-2-((4-(2-(4-(dicyanomethylene)-6-methyl-4H-pyran-2-yl)vinyl)phenyl)(methyl)amino)ethyl 4-(2-(2-hydroxyphenyl)-4,5-diphenyl-1H-imidazol-1-yl)benzoate
  参考文献：
  名称：

  A White-Light-Emitting Molecule: Frustrated Energy Transfer between Constituent Emitting Centers

  摘要：

  White-light-emitting single molecules are promising materials for use in a new generation of displays and light sources because they offer the possibility of simple fabrication with perfect color reproducibility and stability. To realize white-light emission at the molecular scale, thereby eliminating the detrimental concentration- or environment-dependent energy transfer problem in conventional fluorescent or phosphorescent systems, energy transfer between a larger band-gap donor and a smaller band-gap acceptor must be fundamentally blocked. Here, we present the first example of a concentration-independent ultimate white-light-emitting molecule based on excited-state intramolecular proton transfer materials. Our molecule is composed of covalently linked blue- and orange-light-emitting moieties between which energy transfer is entirely frustrated, leading to the production of reproducible, stable white photo- and electroluminescence.

  DOI：

  10.1021/ja902533f