4-[8-[2-[8-[2-[8-[2-[8-[2-[8-[2-[8-[2-[8-(3-Hydroxy-3-methylbut-1-ynyl)-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]-2-methylbut-3-yn-2-ol | 1269169-55-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-[8-[2-[8-[2-[8-[2-[8-[2-[8-[2-[8-[2-[8-(3-Hydroxy-3-methylbut-1-ynyl)-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]-2-methylbut-3-yn-2-ol
• 英文别名: 4-[8-[2-[8-[2-[8-[2-[8-[2-[8-[2-[8-[2-[8-(3-hydroxy-3-methylbut-1-ynyl)-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]-2-methylbut-3-yn-2-ol
• CAS: 1269169-55-2
• 化学式: C₁₉₀H₂₆₆N₁₄O₂
• 分子量: 2778.29
• InChiKey: MSEMGKQWFNXYSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  63.8
• 重原子数：
  206
• 可旋转键数：
  114
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  221
• 氢给体数：
  2
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  4-(8-((8-bromo-2,3-dioctylquinoxalin-5-yl)ethynyl)-2,3-dioctylquinoxalin-5-yl)-2-methylbut-3-yn-2-ol 、 8,8'-((2,3-dioctylquinoxaline-5,8-diyl)bis(ethyne-2,1-diyl))bis(5-ethynyl-2,3-dioctylquinoxaline) 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以17%的产率得到4-[8-[2-[8-[2-[8-[2-[8-[2-[8-[2-[8-[2-[8-(3-Hydroxy-3-methylbut-1-ynyl)-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]ethynyl]-2,3-dioctylquinoxalin-5-yl]-2-methylbut-3-yn-2-ol
  参考文献：
  名称：

  Oligo(quinoxalineethynylene)s: synthesis, properties, and Ag⁺-mediated complanation

  摘要：

  我们合成了一系列具有 n 型半导电特性的低聚（喹喔啉乙烯），并在其溶液中加入 Ag+，由于 Ag+-N 配位，这些低聚（喹喔啉乙烯）的骨架呈现共面构象。

  DOI：

  10.1039/c0cc03501g

文献信息

• Oligo(quinoxalineethynylene)s: synthesis, properties, and Ag⁺-mediated complanation
  作者：Yun-Xiang Xu、Tian-Guang Zhan、Xin Zhao、Qiang Fang、Xi-Kui Jiang、Zhan-Ting Li

  DOI：10.1039/c0cc03501g

  日期：——

  A series of oligo(quinoxalineethylene)s which exhibit n-type semi-conducting features were synthesized, and adding Ag+ to their solutions induced the backbones to adopt coplanar conformations due to Ag+–N coordination.

  我们合成了一系列具有 n 型半导电特性的低聚（喹喔啉乙烯），并在其溶液中加入 Ag+，由于 Ag+-N 配位，这些低聚（喹喔啉乙烯）的骨架呈现共面构象。