2,2'-[5,5'-(4-(1-octylnonyl)dithieno[3,2-b:2',3'-d]pyrrole-2,6-diyl)bis(thien-5,2-diyl)]bis(5-octylthieno[2,3-c]pyrrole-4,6-dione) | 1609237-36-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 2,2'-[5,5'-(4-(1-octylnonyl)dithieno[3,2-b:2',3'-d]pyrrole-2,6-diyl)bis(thien-5,2-diyl)]bis(5-octylthieno[2,3-c]pyrrole-4,6-dione)
• 英文别名: 2-[5-[7-Heptadecan-9-yl-10-[5-(5-octyl-4,6-dioxothieno[2,3-c]pyrrol-2-yl)thiophen-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-5-octylthieno[2,3-c]pyrrole-4,6-dione；2-[5-[7-heptadecan-9-yl-10-[5-(5-octyl-4,6-dioxothieno[2,3-c]pyrrol-2-yl)thiophen-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]-5-octylthieno[2,3-c]pyrrole-4,6-dione
• CAS: 1609237-36-6
• 化学式: C₆₁H₇₇N₃O₄S₆
• 分子量: 1108.7
• InChiKey: IUEDOZGSHAZSSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.3
• 重原子数：
  74
• 可旋转键数：
  33
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  222
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  bis(trimethylstannyl)-4-(1-octylnonyl)dithieno[3,2-b:2',3'-d]pyrrole 、 2-(5-bromothien-2-yl)-5-octylthieno[2,3-c]pyrrole-4,6-dione 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以68%的产率得到2,2'-[5,5'-(4-(1-octylnonyl)dithieno[3,2-b:2',3'-d]pyrrole-2,6-diyl)bis(thien-5,2-diyl)]bis(5-octylthieno[2,3-c]pyrrole-4,6-dione)
  参考文献：
  名称：

  Acceptor–Donor–Acceptor Oligomers Containing Dithieno[3,2-b:2′,3′-d]pyrrole and Thieno[2,3-c]pyrrole-4,6-dione Units for Solution-Processed Organic Solar Cells

  摘要：

  New acceptor-donor-acceptor (A-D-A) oligomers (1 and 2) containing a central dithieno[3,2-b:2',3'-d]pyrrole unit and end-capping thieno[2,3-c]pyrrole-4,6-dione groups have been synthesized and characterized. Bulk heterojunction solar cells were prepared together with PC61BM and PC71BM, and the best results were obtained for the latter acceptor using 1,8-diiodooctane as an additive. Photovoltaic devices containing these oligomers achieved high external quantum efficiencies up to 50%.

  DOI：

  10.1021/ol500809e