11-tert-butyl-(E)-4-(2-(7-(diphenylamino)-9,9-diethyl-9H-fluoren-2-yl)vinyl)-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 11-tert-butyl-(E)-4-(2-(7-(diphenylamino)-9,9-diethyl-9H-fluoren-2-yl)vinyl)-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one
• 英文别名: 6-tert-butyl-15-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one
• 化学式: C₅₃H₄₅N₃O
• 分子量: 739.96
• InChiKey: ZDWVKDCRTWUSMJ-XTQSDGFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.7
• 重原子数：
  57
• 可旋转键数：
  8
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-溴-1,8-萘二甲酸酐 、 9,9-diethyl-N,N-diphenyl-7-vinyl-9H-fluoren-2-amine 、 4-叔丁基苯-1,2-二胺 在 溶剂黄146 、 palladium diacetate 、 三乙胺 、 三(邻甲基苯基)磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 以17%的产率得到11-tert-butyl-(E)-3-(2-(7-(diphenylamino)-9,9-diethyl-9H-fluoren-2-yl)vinyl)-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one
  参考文献：
  名称：

  An efficient guest/host fluorescent energy transfer pair based on the naphthalimide skeleton, and its application in heavily-doped red organic light-emitting diodes

  摘要：

  A red aggregation-emission-enhancement guest fluorophor and a green host compound both based upon the naphthalimide skeleton namely, 11-tert-butyl-((E)-4-(2-(7-(diphenylamino)-9,9-diethyl-9H-fluoren-2-yl)vinyl)-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one and 2-(4-tert-butylphenyl)-6-(9(4-tert-butylphenyl)-9H-carbazol-3-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, have been synthesized. They form an efficient energy transfer pair due to their structural similarity. As a consequence of the aggregation characteristics of the red guest, and the high energy-transfer efficiency between the host and guest as well, the 6 wt% heavily-doped organic light-emitting diode based on these naphthalimides shows high performance, with maximum brightness of 6250 cd m(-2) and current efficiency of 3.13 cd A(-1). In contrast, the reference device using tris(8-hydroxyquinolinato)aluminium (III) as host just exhibits peak luminance of 1160 cd m(-2) and current efficiency of 0.75 cd A(-1). The drastically enhanced device performance was attributed to the much better energy transfer efficiency between the host and guest, which stems from their good structural similarity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.08.021