6,7-Bis[3,5-bis(2-ethylhexoxy)phenyl]-4,9-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline | 1119826-16-2

• 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: 6,7-Bis[3,5-bis(2-ethylhexoxy)phenyl]-4,9-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline
• 英文别名: 6,7-bis[3,5-bis(2-ethylhexoxy)phenyl]-4,9-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline
• CAS: 1119826-16-2
• 化学式: C₆₀H₇₈Br₂N₄O₄S₃
• 分子量: 1175.31
• InChiKey: QJJAPXJKQKOMIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.5
• 重原子数：
  73
• 可旋转键数：
  32
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  173
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  4,7-bis(5-bromothiophen-2-yl)benzo[c][1,2,5]thiadiazole-5,6-diamine 、 1,2-bis[3,5-di(2-ethylhexyloxy)phenyl]ethanedione 以 乙醇 为溶剂， 反应 120.0h， 以58%的产率得到6,7-Bis[3,5-bis(2-ethylhexoxy)phenyl]-4,9-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline
  参考文献：
  名称：

  Photovoltaic Performance of an Ultrasmall Band Gap Polymer

  摘要：

  A conjugated polymer (PBTTQ) that consists of alternating electron-rich bithiophene and electron-deficient thiadiazoloquinoxaline units was synthesized via Yamamoto polymerization with Ni(cod)(2) and provides a band gap of 0.94 eV. This represents one of the smallest band gaps obtained for a soluble conjugated polymer. When applied in a bulk heterojunction solar cell together with [84]PCBM as the electron acceptor, the polymer affords a response up to 1.3 mu m.

  DOI：

  10.1021/ol802839z

文献信息

• Photovoltaic Performance of an Ultrasmall Band Gap Polymer
  作者：Arjan P. Zoombelt、Marta Fonrodona、Martijn M. Wienk、Alexander B. Sieval、Jan C. Hummelen、René A. J. Janssen

  DOI：10.1021/ol802839z

  日期：2009.2.19

  A conjugated polymer (PBTTQ) that consists of alternating electron-rich bithiophene and electron-deficient thiadiazoloquinoxaline units was synthesized via Yamamoto polymerization with Ni(cod)(2) and provides a band gap of 0.94 eV. This represents one of the smallest band gaps obtained for a soluble conjugated polymer. When applied in a bulk heterojunction solar cell together with [84]PCBM as the electron acceptor, the polymer affords a response up to 1.3 mu m.