1-(4-(tert-butyl)phenyl)-2-(4-(7,10-diphenylfluoranthen-8-yl)phenyl)-1H-phenanthro[9,10-d]imidazole | 1507465-03-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1-(4-(tert-butyl)phenyl)-2-(4-(7,10-diphenylfluoranthen-8-yl)phenyl)-1H-phenanthro[9,10-d]imidazole
• 英文别名: 3-(4-Tert-butylphenyl)-2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]phenanthro[9,10-d]imidazole；3-(4-tert-butylphenyl)-2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]phenanthro[9,10-d]imidazole
• CAS: 1507465-03-3
• 化学式: C₅₉H₄₂N₂
• 分子量: 778.996
• InChiKey: WRYGMKJHJZIISA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.5
• 重原子数：
  61
• 可旋转键数：
  6
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-乙炔基苯甲醛 在 ammonium acetate 、 溶剂黄146 作用下， 以 邻二甲苯 为溶剂， 反应 48.0h， 生成 1-(4-(tert-butyl)phenyl)-2-(4-(7,10-diphenylfluoranthen-8-yl)phenyl)-1H-phenanthro[9,10-d]imidazole
  参考文献：
  名称：

  Bipolar Phenanthroimidazole Derivatives Containing Bulky Polyaromatic Hydrocarbons for Nondoped Blue Electroluminescence Devices with High Efficiency and Low Efficiency Roll-Off

  摘要：

  A series of bipolar phenanthroimidazole derivatives, TTP-TPI, DPT-TPI, and DPF-TPI, were designed and synthesized by incorporating polyaromatic hydrocarbon groups to phenanthroimidazole through a phenyl bridge. The bulky polyaromatic hydrocarbon units endow the molecules with high glass-transition temperatures, nonplanar twisty structures which reduce molecular aggregations. The bipolar transporting natures of these materials are demonstrated by single-carrier devices with supported of theoretical calculations. Nondoped organic light-emitting devices (OLEDs) using these phenanthroimidazole derivatives as emitters show blue-violet to sky-blue emissions with Commission Internationale de l'Eclairage (CIE) coordinates of (0.16, 0.05) for TTP-TPI, (0.16, 0.07) for DPT-TPI, and (0.17, 0.24) for DPF-TPI. The TTP-TPI-, DPT-TPI-, and DPF-TPI-based nondoped devices show impressive external quantum efficiencies (EQE) of 5.02, 5.25, 4.85%, respectively (corresponding current efficiencies: 2.10, 3.13, and 8.41 cd/A). These values are the best or among the best comparing to those of the reported nondoped OLEDs with the corresponding color gamuts. These devices also show small efficiency roll-off at high brightness (1000 cd/m(2)) with EQEs drop by 20.7, 12, and 0%. Moreover, with well-balanced carrier transport, DPF-TPI based device can achieve a higher brightness of 10000 cd/m(2) with EQE maintaining at 4.49% (only drop by 7.4%).

  DOI：

  10.1021/cm4030414