4-[2-[1-(2-ethylhexyl)pyrrol-2-yl]ethenyl]-2-[4-[2-[1-(2-ethylhexyl)pyrrol-2-yl]ethenyl]pyridin-2-yl]pyridine | 1246198-80-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-[2-[1-(2-ethylhexyl)pyrrol-2-yl]ethenyl]-2-[4-[2-[1-(2-ethylhexyl)pyrrol-2-yl]ethenyl]pyridin-2-yl]pyridine
• CAS: 1246198-80-0
• 化学式: C₃₈H₅₀N₄
• 分子量: 562.842
• InChiKey: SREDRBLIIOIERS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.52
• 重原子数：
  42.0
• 可旋转键数：
  17.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  35.64
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1-(2-ethylhexyl)-1H-pyrrole-2-carbaldehyde 、 2,2’-联吡啶-4,4’-二甲磷酸二乙酯 在 sodium hydride 作用下， 生成 4-[2-[1-(2-ethylhexyl)pyrrol-2-yl]ethenyl]-2-[4-[2-[1-(2-ethylhexyl)pyrrol-2-yl]ethenyl]pyridin-2-yl]pyridine
  参考文献：
  名称：

  Synthesis and properties of novel low band-gap polymers bearing squaraine units

  摘要：

  Novel main-chain-conjugated poly(carbazol-alt-squaraine) and poly (dipyridyl-alt-squaraine) were successfully synthesized through direct polycondensation of 9-(2-ethylhexyl)carbazole-bridged or dipyridyl-bridged bispyrrole and squaric acid. The structures and properties of the polymers were characterized using (1)H NMR, FT-IR, UV-vis and cyclic voltammetry. Both polymers exhibit excellent solubility in common organic solvents and good thermal stability. Their UV-vis absorption spectra indicated the polymers have broad and strong spectral responses from 200 nm to 900 nm, which reveals a low optical band gap around 1.38 eV, suggesting that they may be promising candidates for organic solar cells. (C) 2009 Ying Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2009.09.003