4,4'-(5,5'-(9-hexyl-9H-carbazole-3,6-diyl)bis(thiophene-5,2-diyl))bis(methan-1-yl-1-ylidene)bis(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid) | 1383124-71-7

• 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: 4,4'-(5,5'-(9-hexyl-9H-carbazole-3,6-diyl)bis(thiophene-5,2-diyl))bis(methan-1-yl-1-ylidene)bis(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid)
• CAS: 1383124-71-7
• 化学式: C₄₈H₃₇N₅O₆S₂
• 分子量: 843.984
• InChiKey: CPYGDMWFSNWFQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.57
• 重原子数：
  61.0
• 可旋转键数：
  13.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  144.87
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  3,6-二溴9-己基-9H-咔唑 在 四(三苯基膦)钯 、 ammonium acetate 、 三氯氧磷 作用下， 以 四氢呋喃 、 溶剂黄146 、 1,2-二氯乙烷 为溶剂， 反应 12.0h， 生成 4,4'-(5,5'-(9-hexyl-9H-carbazole-3,6-diyl)bis(thiophene-5,2-diyl))bis(methan-1-yl-1-ylidene)bis(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid)
  参考文献：
  名称：

  Synthesis and Photovoltaic Performance of Long Wavelength Absorbing Organic Dyes for Dye-Sensitized Solar Cells

  摘要：

  We prepared novel organic photo-sensitizers based on a carbazole framework containing various acceptors with thiophene bridge units in the chromophore for the application to dye-sensitized solar cell (DSSC). Furthermore, organic dyes without bridge in the chromophore also synthesized to investigate the correlation between conjugation lengths and photon-to-current efficiency (PCE). Compared to non-bridged dyes, the DSSCs device containing multi-anchoring dyes with thiophene bridge exhibited much higher PCEs, resulting from efficient electron extraction pathways, higher molar extinction coefficients, and better light absorption in longer wavelengths.

  DOI：

  10.1080/15421406.2011.601189