| 1332650-21-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 1332650-21-1
• 化学式: C₄₄H₄₇NOS₂
• 分子量: 669.995
• InChiKey: MBRLYEWAZBNPTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.94
• 重原子数：
  48.0
• 可旋转键数：
  3.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 氰乙酸 在 哌啶 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 6.0h， 以87%的产率得到JK-160
  参考文献：
  名称：

  A new class of organic sensitizers with fused planar triphenylamine for nanocrystalline dye sensitized solar cells

  摘要：

  Five novel organic sensitizers that contain a fused-planar triphenylamine as electron donor have been synthesized and their photophysical properties, theoretical calculation and photovoltaic performances as well as stability test have been studied. Under standard AM 1.5 sunlight, the sensitizer JK-164 yielded a short-circuit photocurrent density of 15.32 mA cm(-2), an open-circuit voltage of 0.70V, and a fill factor of 0.74, corresponding to an overall conversion efficiency of 7.86%. The JK-164 cell exhibits an excellent stability, revealing a slight change after 1000 h of light soaking at 60 degrees C using a solvent free ionic liquid. The cell shows a higher open-circuit voltage (V-oc) compared to that of JK-163 due to an increased electron life time (tau(c)) in the conduction band of TiO2. Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2011.02.001
• 作为产物：
  描述：

  C₄₉H₅₇NO₂S₂ 在 水 、 三氟乙酸 作用下， 反应 6.0h， 以91%的产率得到
  参考文献：
  名称：

  A new class of organic sensitizers with fused planar triphenylamine for nanocrystalline dye sensitized solar cells

  摘要：

  Five novel organic sensitizers that contain a fused-planar triphenylamine as electron donor have been synthesized and their photophysical properties, theoretical calculation and photovoltaic performances as well as stability test have been studied. Under standard AM 1.5 sunlight, the sensitizer JK-164 yielded a short-circuit photocurrent density of 15.32 mA cm(-2), an open-circuit voltage of 0.70V, and a fill factor of 0.74, corresponding to an overall conversion efficiency of 7.86%. The JK-164 cell exhibits an excellent stability, revealing a slight change after 1000 h of light soaking at 60 degrees C using a solvent free ionic liquid. The cell shows a higher open-circuit voltage (V-oc) compared to that of JK-163 due to an increased electron life time (tau(c)) in the conduction band of TiO2. Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2011.02.001