(E)-2-(4-(2-(5'-(4-(bis(9,9-dimethyl-9H-fluoren-2-yl)amino)phenyl)-2,2'-bithiophen-5-yl)vinyl)-3-cyano-5,5-dimethylfuran-2(5H)-ylidene)malononitrile | 1376688-12-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (E)-2-(4-(2-(5'-(4-(bis(9,9-dimethyl-9H-fluoren-2-yl)amino)phenyl)-2,2'-bithiophen-5-yl)vinyl)-3-cyano-5,5-dimethylfuran-2(5H)-ylidene)malononitrile
• 英文别名: 2-[4-[(E)-2-[5-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-3-cyano-5,5-dimethylfuran-2-ylidene]propanedinitrile
• CAS: 1376688-12-8
• 化学式: C₅₆H₄₂N₄OS₂
• 分子量: 851.108
• InChiKey: YKDUDAFQTWVRMF-NJNXFGOHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  63
• 可旋转键数：
  7
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  140
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5'-(4-(bis(9,9-dimethyl-9H-fluoren-2-yl)amino)phenyl)-2,2'-bithiophene-5-carbaldehyde 、 2-(3-氰基-4,5,5-三甲基呋喃-2(5H)-亚甲基)丙二腈 在 哌啶 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 24.0h， 以69%的产率得到(E)-2-(4-(2-(5'-(4-(bis(9,9-dimethyl-9H-fluoren-2-yl)amino)phenyl)-2,2'-bithiophen-5-yl)vinyl)-3-cyano-5,5-dimethylfuran-2(5H)-ylidene)malononitrile
  参考文献：
  名称：

  Synthesis and characterization of push–pull organic semiconductors with various acceptors for solution-processed small molecule organic solar cells

  摘要：

  New efficient push-pull organic semiconductors comprising of the bis(9,9-dimethyl-9H-fluoren-2-yl) aniline (bisDMFA) donor and the various acceptors such as NO2, DCBP, and TCF, which were linked with bithiophene or vinyl bithiophene pi-conjugation bridges, were synthesized, and their photovoltaic characteristics were investigated in solution-processed small molecule organic solar cells (SMOSCs). The intramolecular charge transfers of these materials were effectively appeared in between bisDMFA donor and acceptors, depending on the electron-withdrawing strength of acceptors. The organic semiconductors having NO2 and DCBP acceptors exhibited the most efficient photovoltaic performance, showing power conversion efficiency (PCE) of 1.98% (+/- 0.17) and 2.01% (+/- 0.21), respectively. When the TiOx thin layer was treated on photoactive layer, the organic semiconductor having NO2 showed the best PCE of 2.70% with short circuit current of 8.19 mA/cm(2), fill factor of 0.40, and open circuit voltage of 0.83 V in SMOSC devices. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.061