9-{7-[4,6-bis(7-bromo-9,9-dioctyl-9H-fluoren-2-yl)-[1,3,5]triazin-2-yl]-9,9-dioctyl-9H-fluoren-2-yl}-3,6-di-tert-butyl-9H-carbazole | 1417539-78-6

• 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-{7-[4,6-bis(7-bromo-9,9-dioctyl-9H-fluoren-2-yl)-[1,3,5]triazin-2-yl]-9,9-dioctyl-9H-fluoren-2-yl}-3,6-di-tert-butyl-9H-carbazole
• 英文别名: 9-[7-[4,6-Bis(7-bromo-9,9-dioctylfluoren-2-yl)-1,3,5-triazin-2-yl]-9,9-dioctylfluoren-2-yl]-3,6-ditert-butylcarbazole
• CAS: 1417539-78-6
• 化学式: C₁₁₀H₁₄₄Br₂N₄
• 分子量: 1682.19
• InChiKey: UBSRGXWWORMCLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  43
• 重原子数：
  116
• 可旋转键数：
  48
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,6-二叔丁基咔唑 、 2,4,6-tris(7-bromo-9,9-dioctyl-9H-fluoren-2-yl)[1,3,5]triazine 在 copper(l) iodide 、 18-冠醚-6 、 potassium carbonate 作用下， 以 邻二氯苯 为溶剂， 反应 24.0h， 以42.5%的产率得到9-{7-[4,6-bis(7-bromo-9,9-dioctyl-9H-fluoren-2-yl)-[1,3,5]triazin-2-yl]-9,9-dioctyl-9H-fluoren-2-yl}-3,6-di-tert-butyl-9H-carbazole
  参考文献：
  名称：

  Conjugated polymers containing trifluoren-2-ylamine, trifluoren-2-ylbenzene and trifluoren-2-yltriazine for electroluminescence

  摘要：

  A series of light-emitting conjugated polymers (LEPs) based on building blocks of electron-donating trifluoren-2-ylamine (TFA), electrically neutral 1,3,5-trifluoren-2-ylbenzene (TFB), and electron-withdrawing 2,4,6-trifluoren-2-yltriazine (TFT) were successfully synthesized via palladium-catalyzed Suzuki cross-coupling polycondensation. Their structure-property relationships were thoroughly studied. For P1 containing electron-withdrawing backbone and electron-donating pendants, their photophysical properties in solution are strongly dependent on the solvent polarity due to the intense intramolecular charge-transfer (ICT) interaction. In addition, their emission colors and energy levels could be effectively tuned by changing the structure of the main chain as well as the substituent at the pendent fluorene of TFT, TFB, and TFA. To evaluate their electroluminescence properties, double-layer devices with a configuration of ITO/PEDOT:PSS (40 nm)/emitting layer (EML) (70-80 nm)/TPBI (30 nm)/CsF (1.5 nm)/Al were fabricated, where the developed polymers were used as an EML and TPBI (2,2',2 ''-(1,3,5-benzenetriyl)-tris-(1-phenyl-1H-benzimidazole)) was used as an electron-transport and hole-block layer. Deep-blue light emission was achieved for the device based on P1d, a polymer based on TFT and the second generation (G2) of carbazole dendrimer pendant, that shows a maximum current efficiency (CE) of 1.26 cd A(-1), corresponding to external quantum efficiency (EQE) of 1.27%, with Commission Internationale de L'Eclairage (CIE) coordinates of (0.16, 0.14). In comparison, due to the intense ICT interaction between the main chain and the side chain, light-green emission was achieved for the device based on Plc, a polymer based on TFT and bis(9,9-dioctyl-9H-fluoren-2-yl)amine pendant, giving the highest maximum CE of 4.10 cd A(-1), corresponding to EQE of 2.45%, with CIE coordinates of (0.24,0.51), although either of the main chain and the side chain emits blue light. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.polymer.2012.11.050