1,1',1'',1'''-((5-ethyl-10,11-dihydro-5H-dibenzo[b,f]azepine-2,8-diyl)bis(1H-imidazole-2,1,3(2H)-triyl))tetrakis(2,2,2-trifluoroethan-1-one) | 1352057-48-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1,1',1'',1'''-((5-ethyl-10,11-dihydro-5H-dibenzo[b,f]azepine-2,8-diyl)bis(1H-imidazole-2,1,3(2H)-triyl))tetrakis(2,2,2-trifluoroethan-1-one)
• CAS: 1352057-48-7
• 化学式: C₃₀H₂₁F₁₂N₅O₄
• 分子量: 743.509
• InChiKey: JVGLKLOHQWTKEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.47
• 重原子数：
  51.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  84.48
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1,1',1'',1'''-((5-ethyl-10,11-dihydro-5H-dibenzo[b,f]azepine-2,8-diyl)bis(1H-imidazole-2,1,3(2H)-triyl))tetrakis(2,2,2-trifluoroethan-1-one) 在 盐酸 、 ammonium acetate 、 水 、 溶剂黄146 作用下， 以 乙腈 为溶剂， 生成 2,2'-(((5-ethyl-10,11-dihydro-5H-dibenzo[b,f]azepine-2,8-diyl)bis(methaneylylidene))bis(4-oxo-2-thioxothiazolidin-3-yl-5-ylidene))diacetic acid
  参考文献：
  名称：

  Synthesis, Characterization and Photovoltaic Properties of Di-Anchoring Organic Dyes

  摘要：

  Three new organic dyes comprising carbazole, iminodibenzyl and phenothiazine moieties, as electron donors and di-anchoring rhodanine rings as the electron acceptors, were synthesized and evaluated for use in dye-sensitized solar cells. A solar cell employing dye-containing phenothiazine as a hole-transporting unit and di-anchoring rhodanine rings as the electron acceptors exhibits a short circuit photocurrent density of 10.6 mA cm(-2), an open-circuit voltage of 0.658 V and a fill factor of 0.7, corresponding to an overall conversion efficiency of 4.91% at standard AM 1.5 sunlight.

  DOI：

  10.1590/s0103-50532011000400023
• 作为产物：
  描述：

  亚氨基二苄 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 1,1',1'',1'''-((5-ethyl-10,11-dihydro-5H-dibenzo[b,f]azepine-2,8-diyl)bis(1H-imidazole-2,1,3(2H)-triyl))tetrakis(2,2,2-trifluoroethan-1-one)
  参考文献：
  名称：

  Synthesis, Characterization and Photovoltaic Properties of Di-Anchoring Organic Dyes

  摘要：

  Three new organic dyes comprising carbazole, iminodibenzyl and phenothiazine moieties, as electron donors and di-anchoring rhodanine rings as the electron acceptors, were synthesized and evaluated for use in dye-sensitized solar cells. A solar cell employing dye-containing phenothiazine as a hole-transporting unit and di-anchoring rhodanine rings as the electron acceptors exhibits a short circuit photocurrent density of 10.6 mA cm(-2), an open-circuit voltage of 0.658 V and a fill factor of 0.7, corresponding to an overall conversion efficiency of 4.91% at standard AM 1.5 sunlight.

  DOI：

  10.1590/s0103-50532011000400023