9,9'-(4,4'-(7,7'-(9,9-diheptyl-9H-fluorene-2,7-diyl)bis(ethyne-2,1-diyl)bis(9,9-diheptyl-9H-fluorene-7,2-diyl))bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(3,6-di-tert-butyl-9H-carbazole) | 1013926-00-5

• 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: 9,9'-(4,4'-(7,7'-(9,9-diheptyl-9H-fluorene-2,7-diyl)bis(ethyne-2,1-diyl)bis(9,9-diheptyl-9H-fluorene-7,2-diyl))bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(3,6-di-tert-butyl-9H-carbazole)
• 英文别名: 3,6-Ditert-butyl-9-[4-[2-[7-[2-[7-[2-[7-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]phenyl]carbazole；3,6-ditert-butyl-9-[4-[2-[7-[2-[7-[2-[7-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]phenyl]carbazole
• CAS: 1013926-00-5
• 化学式: C₁₄₁H₁₆₄N₂
• 分子量: 1886.87
• InChiKey: ZBJGDZCFGIENQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  49.8
• 重原子数：
  143
• 可旋转键数：
  50
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  9.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  2,7-diethynyl-9,9-diheptyl-9H-fluorene 、 3,6-di-tert-butyl-9-[4-(9,9-diheptyl-7-iodo-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， 以78%的产率得到9,9'-(4,4'-(7,7'-(9,9-diheptyl-9H-fluorene-2,7-diyl)bis(ethyne-2,1-diyl)bis(9,9-diheptyl-9H-fluorene-7,2-diyl))bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(3,6-di-tert-butyl-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

文献信息

• Synthesis and characterization of deep blue emitters from starburst carbazole/fluorene compounds
  作者：Zujin Zhao、Xinjun Xu、Xiaopeng Chen、Xiaoming Wang、Ping Lu、Gui Yu、Yunqi Liu

  DOI：10.1016/j.tet.2007.12.059

  日期：2008.3

  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.