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) | 1192340-32-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 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)
• 英文别名: TQTFA；7-[5-[17,19-bis(4-tert-butylphenyl)-11-[5-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]-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-undecaen-4-yl]thiophen-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine；7-[5-[17,19-bis(4-tert-butylphenyl)-11-[5-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]-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-undecaen-4-yl]thiophen-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
• CAS: 1192340-32-1
• 化学式: C₁₂₀H₁₂₀N₄S₃
• 分子量: 1714.5
• InChiKey: ZYHBWQMVQDJAGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  38.8
• 重原子数：
  127
• 可旋转键数：
  34
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  89.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  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

文献信息

• Dibenzo[<i>f</i>,<i>h</i>]thieno[3,4-<i>b</i>] quinoxaline-Based Small Molecules for Efficient Bulk-Heterojunction Solar Cells
  作者：Marappan Velusamy、Jen-Hsien Huang、Ying-Chan Hsu、Hsien-Hsin Chou、Kuo-Chuan Ho、Pei-Lun Wu、Wei-Hau Chang、Jiann T. Lin、Chih-Wei Chu

  DOI：10.1021/ol9019953

  日期：2009.11.5

  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.