9-hexyl-3,6-bis[4-(2-pyridin-4-ylvinyl)phenylethhynyl]-9H-carbazole | 349086-84-6

• 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-hexyl-3,6-bis[4-(2-pyridin-4-ylvinyl)phenylethhynyl]-9H-carbazole
• 英文别名: 9-hexyl-3,6-bis[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]carbazole
• CAS: 349086-84-6
• 化学式: C₄₈H₃₉N₃
• 分子量: 657.858
• InChiKey: CSUJGJYXJZOOBM-YXLFCKQPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  51
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  五羰基溴铼(I) 、 9-hexyl-3,6-bis[4-(2-pyridin-4-ylvinyl)phenylethhynyl]-9H-carbazole 以 四氢呋喃 、 苯 为溶剂， 以48%的产率得到
  参考文献：
  名称：

  Self-Assembly Molecular Architectures Incorporating Fluorene- and Carbazole-Based Bichromic Oligopyridines. Novel Photoactive Materials

  摘要：

  Fluorene- and carl;azole-bridged dipyridyl ligands potentially useful for the construction of supramolecules by self-assembly processes have been synthesized by palladium-catalyzed cross-coupling reactions. They undergo facile ring closure reactions with Re(CO)(5)X (X = Cl, Br) to form molecular geometries of varied dimensions. Fluorene-bridged ditopic ligands facilitate the formation of trimetallic triangles, while the angular carbazole-bridged ligands led to the formation of cyclic dimers. The ligands are strongly emitting in the blue region, and the:supramolecules display emission of different origins triggered by the bridging aromatic segment. Carbazole-containing cyclic dimers emit green light that probably originates from a ligand-localized excited state. However, in the fluorene-based triangles emission was observed only at low temperature, and it displayed (3)pi-pi* and (MLCT)-M-3-based emissions with prolonged lifetimes.

  DOI：

  10.1021/om010035n

文献信息

• Self-Assembly Molecular Architectures Incorporating Fluorene- and Carbazole-Based Bichromic Oligopyridines. Novel Photoactive Materials
  作者：K. R. Justin Thomas、Jiann T. Lin、Yu-Yun Lin、Chiitang Tsai、Shih-Sheng Sun

  DOI：10.1021/om010035n

  日期：2001.5.1

  Fluorene- and carl;azole-bridged dipyridyl ligands potentially useful for the construction of supramolecules by self-assembly processes have been synthesized by palladium-catalyzed cross-coupling reactions. They undergo facile ring closure reactions with Re(CO)(5)X (X = Cl, Br) to form molecular geometries of varied dimensions. Fluorene-bridged ditopic ligands facilitate the formation of trimetallic triangles, while the angular carbazole-bridged ligands led to the formation of cyclic dimers. The ligands are strongly emitting in the blue region, and the:supramolecules display emission of different origins triggered by the bridging aromatic segment. Carbazole-containing cyclic dimers emit green light that probably originates from a ligand-localized excited state. However, in the fluorene-based triangles emission was observed only at low temperature, and it displayed (3)pi-pi* and (MLCT)-M-3-based emissions with prolonged lifetimes.