3,6-Ditert-butyl-9-[7-[5-[5-[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dihexylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dihexylfluoren-2-yl]carbazole | 1407160-86-4

• 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-Ditert-butyl-9-[7-[5-[5-[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dihexylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dihexylfluoren-2-yl]carbazole
• 英文别名: 3,6-ditert-butyl-9-[7-[5-[5-[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dihexylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dihexylfluoren-2-yl]carbazole
• CAS: 1407160-86-4
• 化学式: C₉₈H₁₁₆N₂S₂
• 分子量: 1386.14
• InChiKey: QIPBZXMFRDYNPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  35
• 重原子数：
  102
• 可旋转键数：
  29
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  66.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(3,6-di-tert-butylcarbazol-N-yl)-7-(5-bromothiophen-2-yl)-9,9-dihexylfluorene 在 四(三苯基膦)钯 、 hexa-n-butyldisilane 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以68%的产率得到3,6-Ditert-butyl-9-[7-[5-[5-[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dihexylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dihexylfluoren-2-yl]carbazole
  参考文献：
  名称：

  Synthesis, characterization, and properties of 7,7′-bis(3,6-di-tert-butylcarbazol-N-yl)-substituted fluorenyl-oligothiophenes

  摘要：

  A series of new 7,7'bis(3,6-di-tert-butylcarbazol-N-yl)-substituted fluorenyl-oligothiophenes bearing 0-, 2-, 4-, 6-, and 8-thiophene rings, namely BCFTn, were synthesized using palladium catalyzed Stille dimerization coupling reactions of their corresponding brominated thiophenes. The relationship between the chemical structure and the properties of these oligomers was evaluated. With respect to the electronic properties, the longest wavelength absorptions, emissions, and also the oxidation potentials can be tuned by varying the conjugation length of the oligothiophene segments. The terminal carbazole and fluorene moieties of the resulting materials are beneficial for their morphology, conjugation length, and solubility. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2012.08.104

文献信息

• Synthesis, characterization, and properties of 7,7′-bis(3,6-di-tert-butylcarbazol-N-yl)-substituted fluorenyl-oligothiophenes
  作者：Janeeya Khunchalee、Ruangchai Tarsaeng、Siriporn Jungsuttiwong、Tinnagon Keawin、Taweesak Sudyoadsuk、Vinich Promarak

  DOI：10.1016/j.tetlet.2012.08.104

  日期：2012.10

  A series of new 7,7'bis(3,6-di-tert-butylcarbazol-N-yl)-substituted fluorenyl-oligothiophenes bearing 0-, 2-, 4-, 6-, and 8-thiophene rings, namely BCFTn, were synthesized using palladium catalyzed Stille dimerization coupling reactions of their corresponding brominated thiophenes. The relationship between the chemical structure and the properties of these oligomers was evaluated. With respect to the electronic properties, the longest wavelength absorptions, emissions, and also the oxidation potentials can be tuned by varying the conjugation length of the oligothiophene segments. The terminal carbazole and fluorene moieties of the resulting materials are beneficial for their morphology, conjugation length, and solubility. (C) 2012 Published by Elsevier Ltd.