3,6-di-tert-butyl-9-[4-(7-ethynyl-9,9-diheptyl-9H-fluoren-2-ylethynyl)phenyl]-9H-carbazole | 952308-23-5

• 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: 3,6-di-tert-butyl-9-[4-(7-ethynyl-9,9-diheptyl-9H-fluoren-2-ylethynyl)phenyl]-9H-carbazole
• CAS: 952308-23-5
• 化学式: C₅₇H₆₅N
• 分子量: 764.15
• InChiKey: FNEHZVZKORGXLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.75
• 重原子数：
  58.0
• 可旋转键数：
  13.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  4.93
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2,7-diiodo-9,9-diheptyl-9H-fluorene 、 3,6-di-tert-butyl-9-[4-(7-ethynyl-9,9-diheptyl-9H-fluoren-2-ylethynyl)phenyl]-9H-carbazole 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 生成 3,6-di-tert-butyl-9-{4-[7-(9,9-diheptyl-7-iodo-9H-fluoren-2-ylethynyl)-9,9-diheptyl-9H-fluoren-2-ylethynyl]phenyl}-9H-carbazole
  参考文献：
  名称：

  Solution-Processable Stiff Dendrimers: Synthesis, Photophysics, Film Morphology, and Electroluminescence

  摘要：

  A series of solution-processable conjugated dendrimers (T1-T5) consisting of a pyrene core. fluorene/carbazole dendrons, and acetylene linkages have been Successfully synthesized and fully characterized. The effects of (generation on the photoluminescence (PL) and electroluminescence (EL) of dendrimers are investigated. Photon harvest and energy transfer are observed in these dendritic systems. Efficient electroluminescent single layer dendrimer devices are achieved through control of dendrimer generation and optimization of spin-coating speed. A T3-based device exhibits yellow EL (CIE: 0.49 0.50) with a maximum brightness of 5590 cd/m(2) at 16 V, a high current efficiency of 2.67 cd/A at 8.6 V, and a best external quantum efficiency of 0.86%.

  DOI：

  10.1021/jo802237c
• 作为产物：
  描述：

  在 氢氧化钾 、 异丙醇 作用下， 反应 3.0h， 生成 3,6-di-tert-butyl-9-[4-(7-ethynyl-9,9-diheptyl-9H-fluoren-2-ylethynyl)phenyl]-9H-carbazole
  参考文献：
  名称：

  Synthesis and characterization of deep blue emitters from starburst carbazole/fluorene compounds

  摘要：

  A series of well-defined, highly fluorescent starburst compounds with a carbazole core and oligo(2,7-fluorene ethynylene) arms have been synthesized by Sonogashira coupling reaction and fully characterized. These conjugated compounds exhibit good solubility, high thermal stability, and excellent fluorescence quantum yields (up to 0.99). The incorporation of carbazole core interrupted the main-chain conjugation and resulted in blue-shifted absorption and emission. Moreover, deep blue light has been approached from organic light-emitting diodes (OLEDs) adopting these compounds as emitting layer. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.12.059