10,12-bis(4-tert-butylphenyl)-2,7-diiododibenzo[f,h]thieno[3,4-b]quinoxaline | 1192340-23-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 10,12-bis(4-tert-butylphenyl)-2,7-diiododibenzo[f,h]thieno[3,4-b]quinoxaline
• 英文别名: 17,19-Bis(4-tert-butylphenyl)-4,11-diiodo-18lambda4-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1,3,5,7,9,11,13,15,17,18,20-undecaene；17,19-bis(4-tert-butylphenyl)-4,11-diiodo-18λ4-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1,3,5,7,9,11,13,15,17,18,20-undecaene
• CAS: 1192340-23-0
• 化学式: C₃₈H₃₂I₂N₂S
• 分子量: 802.56
• InChiKey: CINBJAIRYHTEFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  43
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  10,12-bis(4-tert-butylphenyl)-2,7-diiododibenzo[f,h]thieno[3,4-b]quinoxaline 、 7-(5-(tributylstannyl)thiophen-2-yl)-9,9-dihexyl-N,N-diphenyl-9H-fluoren-2-amine 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以70%的产率得到7,7'-(5,5'-(10,12-bis(4-tert-butylphenyl)dibenzo[f,h]thieno[3,4-b]quinoxaline-2,7-diyl)bis(thiophene-5,2-diyl))bis(9,9-dihexyl-N,N-diphenyl-9H-fluoren-2-amine)
  参考文献：
  名称：

  Dibenzo[f,h]thieno[3,4-b] quinoxaline-Based Small Molecules for Efficient Bulk-Heterojunction Solar Cells

  摘要：

  Two isomeric compounds (1 and 2) containing-a dibenzo[f,h]thieno[3,4-b]quinoxaline core and two peripheral arylamines were synthesized. Solution-processed bulk heterojunction (BHJ) solar cells based on these sensitizers and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) are reported. The cell fabricated from 1/67 wt % of PCBM exhibited a high power conversion efficiency of 1.70% and an external quantum yield of 55%. The film of the cell was found to have balanced electron and hole mobility and good film morphology.

  DOI：

  10.1021/ol9019953
• 作为产物：
  描述：

  2,5-bis(4-tert-butylphenyl)thiophene-3,4-diamine 、 2,7-二碘菲醌 在 对甲苯磺酸 作用下， 以 氯仿 为溶剂， 以90%的产率得到10,12-bis(4-tert-butylphenyl)-2,7-diiododibenzo[f,h]thieno[3,4-b]quinoxaline
  参考文献：
  名称：

  Dibenzo[f,h]thieno[3,4-b] quinoxaline-Based Small Molecules for Efficient Bulk-Heterojunction Solar Cells

  摘要：

  Two isomeric compounds (1 and 2) containing-a dibenzo[f,h]thieno[3,4-b]quinoxaline core and two peripheral arylamines were synthesized. Solution-processed bulk heterojunction (BHJ) solar cells based on these sensitizers and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) are reported. The cell fabricated from 1/67 wt % of PCBM exhibited a high power conversion efficiency of 1.70% and an external quantum yield of 55%. The film of the cell was found to have balanced electron and hole mobility and good film morphology.

  DOI：

  10.1021/ol9019953