9,9'-(4,4'-(7,7'-(7,7'-(9-(4-ethynylphenyl)-9H-carbazole-3,6-diyl)bis(ethyne-2,1-diyl)bis(9,9-diheptyl-9H-fluorene-7,2-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) | 1092577-65-5

• 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'-(7,7'-(9-(4-ethynylphenyl)-9H-carbazole-3,6-diyl)bis(ethyne-2,1-diyl)bis(9,9-diheptyl-9H-fluorene-7,2-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-[6-[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-(4-ethynylphenyl)carbazol-3-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]phenyl]carbazole
• CAS: 1092577-65-5
• 化学式: C₁₉₂H₂₁₁N₃
• 分子量: 2560.81
• InChiKey: ZUTARUVURWLVQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  66.2
• 重原子数：
  195
• 可旋转键数：
  68
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  14.8
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,7-diiodo-9,9-diheptyl-9H-fluorene 、 9,9'-(4,4'-(7,7'-(7,7'-(9-(4-ethynylphenyl)-9H-carbazole-3,6-diyl)bis(ethyne-2,1-diyl)bis(9,9-diheptyl-9H-fluorene-7,2-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) 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 反应 4.0h， 以67%的产率得到9,9'-(4,4'-(7,7'-(7,7'-(9-(4-((9,9-diheptyl-7-iodo-9H-fluoren-2-yl)ethynyl)phenyl)-9H-carbazole-3,6-diyl)bis(ethyne-2,1-diyl)bis(9,9-diheptyl-9H-fluorene-7,2-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：

  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 9,9'-(4,4'-(7,7'-(7,7'-(9-(4-ethynylphenyl)-9H-carbazole-3,6-diyl)bis(ethyne-2,1-diyl)bis(9,9-diheptyl-9H-fluorene-7,2-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：

  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