3,3',3''-(6,6',6''-(benzene-1,3,5-triyl)tris(9-dodecyl-9H-carbazole-6,3-diyl))tris(1-(4-(diphenylamino)phenyl)propane-1,3-dione) | 1620492-70-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: 3,3',3''-(6,6',6''-(benzene-1,3,5-triyl)tris(9-dodecyl-9H-carbazole-6,3-diyl))tris(1-(4-(diphenylamino)phenyl)propane-1,3-dione)
• CAS: 1620492-70-7
• 化学式: C₁₄₁H₁₄₄N₆O₆
• 分子量: 2018.73
• InChiKey: OKSHUXALDRPZKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  39.55
• 重原子数：
  153.0
• 可旋转键数：
  57.0
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  126.93
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  三氟化硼乙醚 、 3,3',3''-(6,6',6''-(benzene-1,3,5-triyl)tris(9-dodecyl-9H-carbazole-6,3-diyl))tris(1-(4-(diphenylamino)phenyl)propane-1,3-dione) 以 二氯甲烷 为溶剂， 反应 12.0h， 以18%的产率得到6,6′,6″-(6,6′,6″-(benzene-1,3,5-triyl)tris(9-dodecyl-9H-carbazole-6,3-diyl))tris(4-(4-(diphenylamino)phenyl)-2,2-difluoro-2H-1,3,2-dioxaborinin-1-ium-2-uide)
  参考文献：
  名称：

  Star-shaped triphenylamine terminated difluoroboron β-diketonate complexes: synthesis, photophysical and electrochemical properties

  摘要：

  Two new star-shaped difluoroboron beta-diketonate complexes (TBC)(3)Ph and (TBF)(3)Ph, in which the terminal groups of triphenylamine functionalized difluoroboron beta-diketonates were bridged by carbazole or fluorene to the core of 1,3,5-benzene, have been synthesized. It was found that they gave high molar extinction coefficients, meaning strong light-harvesting ability, and emitted intense yellow light with fluorescence quantum yields (Phi(F)) of 0.73 and 0.67 for (TBC)(3)Ph and (TBF)(3)Ph, respectively, in toluene as well as red light in solid states with Phi(F) of 0.36 and 0.27, respectively. The electrochemical behaviors suggested that they had considerably higher electron affinities than tris(8-hydroxyquinoline)aluminum (AlQ(3)), which indicated that they could be used as electron-transporting materials besides emitting materials. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.03.069
• 作为产物：
  描述：

  4-(二苯基氨基)苯甲酸甲酯 、 1,1′,1″-(6,6′,6″-(benzene-1,3,5-triyl)tris(9-dodecyl-9H-carbazole-6,3-diyl))triethanone 在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 3,3',3''-(6,6',6''-(benzene-1,3,5-triyl)tris(9-dodecyl-9H-carbazole-6,3-diyl))tris(1-(4-(diphenylamino)phenyl)propane-1,3-dione)
  参考文献：
  名称：

  Star-shaped triphenylamine terminated difluoroboron β-diketonate complexes: synthesis, photophysical and electrochemical properties

  摘要：

  Two new star-shaped difluoroboron beta-diketonate complexes (TBC)(3)Ph and (TBF)(3)Ph, in which the terminal groups of triphenylamine functionalized difluoroboron beta-diketonates were bridged by carbazole or fluorene to the core of 1,3,5-benzene, have been synthesized. It was found that they gave high molar extinction coefficients, meaning strong light-harvesting ability, and emitted intense yellow light with fluorescence quantum yields (Phi(F)) of 0.73 and 0.67 for (TBC)(3)Ph and (TBF)(3)Ph, respectively, in toluene as well as red light in solid states with Phi(F) of 0.36 and 0.27, respectively. The electrochemical behaviors suggested that they had considerably higher electron affinities than tris(8-hydroxyquinoline)aluminum (AlQ(3)), which indicated that they could be used as electron-transporting materials besides emitting materials. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.03.069