(E)-2-cyano-3-(5'-(12-methylindolo[1,2-f]phenanthridin-6-yl)-2,2'-bithiophen-5-yl)acrylic acid | 1176870-03-3

• 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: (E)-2-cyano-3-(5'-(12-methylindolo[1,2-f]phenanthridin-6-yl)-2,2'-bithiophen-5-yl)acrylic acid
• 英文别名: JK-61；(E)-2-cyano-3-[5-[5-(18-methyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-10-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid
• CAS: 1176870-03-3
• 化学式: C₃₃H₂₀N₂O₂S₂
• 分子量: 540.666
• InChiKey: ZBXQBMZNNVNDCI-PXLXIMEGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-(5'-(5,5-dimethyl-1,3-dioxan-2-yl)-2,2'-bithiophen-5-yl)-12-methylindolo[1,2-f]-phenanthridine 、 氰乙酸 在 哌啶 作用下， 以 氯仿 、 乙腈 为溶剂， 以53%的产率得到(E)-2-cyano-3-(5'-(12-methylindolo[1,2-f]phenanthridin-6-yl)-2,2'-bithiophen-5-yl)acrylic acid
  参考文献：
  名称：

  Synthesis and photovoltaic properties of novel organic sensitizers containing indolo[1,2-f]phenanthridine for solar cell

  摘要：

  Organic dyes containing indolo[1,2-f]phenanthridine unit are a promising new class of sensitizers for dye-sensitized solar cells, as a result of their broad and intense visible absorptions. Under standard global AM 1.5 solar condition, the JK-61 sensitized cell gave a short circuit photocurrent density (J(sc)) of 15.81 mA cm(-2), an open circuit voltage (V-oc) of 0.73 V, a fill factor of 0.72, corresponding to an overall conversion efficiency of 8.34%. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2009.04.077

文献信息

• Synthesis and photovoltaic properties of novel organic sensitizers containing indolo[1,2-f]phenanthridine for solar cell
  作者：Chul Baik、Duckhyun Kim、Moon-Sung Kang、Kihyung Song、Sang Ook Kang、Jaejung Ko

  DOI：10.1016/j.tet.2009.04.077

  日期：2009.7

  Organic dyes containing indolo[1,2-f]phenanthridine unit are a promising new class of sensitizers for dye-sensitized solar cells, as a result of their broad and intense visible absorptions. Under standard global AM 1.5 solar condition, the JK-61 sensitized cell gave a short circuit photocurrent density (J(sc)) of 15.81 mA cm(-2), an open circuit voltage (V-oc) of 0.73 V, a fill factor of 0.72, corresponding to an overall conversion efficiency of 8.34%. (C) 2009 Published by Elsevier Ltd.