6-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)-12-methylindolo[1,2-f]phenanthridine | 1176869-96-7

• 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: 6-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)-12-methylindolo[1,2-f]phenanthridine
• 英文别名: 10-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)thiophen-2-yl]-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-decaene；10-[5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl]-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-decaene
• CAS: 1176869-96-7
• 化学式: C₃₁H₂₇NO₂S
• 分子量: 477.627
• InChiKey: RZFUHLKCNRRTMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  35
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)-12-methylindolo[1,2-f]phenanthridine 在 水 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 0.83h， 以94%的产率得到5-(12-methylindolo[1,2-f]phenanthridin-6-yl)thiophene-2-carbaldehyde
  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
• 作为产物：
  描述：

  trimethyl(5-(5,5-dimethyl-1,3-dioxan-2-yl)-thiophen-2-yl)stannane 、 6-bromo-12-methylindolo[1,2-f]phenanthridine 在 四(三苯基膦)钯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以81%的产率得到6-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)-12-methylindolo[1,2-f]phenanthridine
  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