(2E,2'E)-3,3'-(4',4''-(1Z,1'Z)-2,2'-(4,4'-(hexylazanediyl)bis(4,1-phenylene))bis(1-cyanoethene-2,1-diyl)bis(biphenyl-4',4-diyl))bis(2-cyanoacrylic acid) | 1376231-82-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (2E,2'E)-3,3'-(4',4''-(1Z,1'Z)-2,2'-(4,4'-(hexylazanediyl)bis(4,1-phenylene))bis(1-cyanoethene-2,1-diyl)bis(biphenyl-4',4-diyl))bis(2-cyanoacrylic acid)
• 英文别名: (E)-3-[4-[4-[(Z)-2-[4-[4-[(Z)-2-[4-[4-[(E)-2-carboxy-2-cyanoethenyl]phenyl]phenyl]-2-cyanoethenyl]-N-hexylanilino]phenyl]-1-cyanoethenyl]phenyl]phenyl]-2-cyanoprop-2-enoic acid
• CAS: 1376231-82-1
• 化学式: C₅₆H₄₃N₅O₄
• 分子量: 849.989
• InChiKey: WXNRFGBIDTUPGP-DDZXMOFSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  65
• 可旋转键数：
  17
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  173
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4,4'-(hexylazanediyl)dibenzaldehyde 在 哌啶 、 potassium tert-butylate 、 palladium diacetate 、 potassium carbonate 、 溶剂黄146 、 亚磷酸三对甲苯酯 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 为溶剂， 生成 (2E,2'E)-3,3'-(4',4''-(1Z,1'Z)-2,2'-(4,4'-(hexylazanediyl)bis(4,1-phenylene))bis(1-cyanoethene-2,1-diyl)bis(biphenyl-4',4-diyl))bis(2-cyanoacrylic acid)
  参考文献：
  名称：

  Synthesis of D-(π-A)2 organic chromophores for dye-sensitized solar cells

  摘要：

  New bi-anchoring donor-pi-acceptor (D-pi-A) metal-free organic dyes based on diphenylamine, carbazole as donor, cyano vinyl biphenyl as a pi-linker and cyanoacrylic acid, rhodanine-3-acetic acid as acceptor/anchor are synthesized, characterized and used for the dye-sensitized solar cell (DSSC) applications. Among the fabricated DSSCs, device based on the carbazole as donor, cyano vinyl biphenyl as a pi-linker and cyanoacrylic acid as acceptor exhibits a high power conversion efficiency of 2.37% with a short-circuit current density of 5.18 mAcm(-2), an open-circuit photo voltage of 0.766 V and a fill factor of 50.8% under AM1.5 illumination (85 mWcm(-2)) compared to other devices. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.02.016

文献信息

• Synthesis of D-(π-A)2 organic chromophores for dye-sensitized solar cells
  作者：Sekar Ramkumar、Subbaiah Manoharan、Sambandam Anandan

  DOI：10.1016/j.dyepig.2012.02.016

  日期：2012.9

  New bi-anchoring donor-pi-acceptor (D-pi-A) metal-free organic dyes based on diphenylamine, carbazole as donor, cyano vinyl biphenyl as a pi-linker and cyanoacrylic acid, rhodanine-3-acetic acid as acceptor/anchor are synthesized, characterized and used for the dye-sensitized solar cell (DSSC) applications. Among the fabricated DSSCs, device based on the carbazole as donor, cyano vinyl biphenyl as a pi-linker and cyanoacrylic acid as acceptor exhibits a high power conversion efficiency of 2.37% with a short-circuit current density of 5.18 mAcm(-2), an open-circuit photo voltage of 0.766 V and a fill factor of 50.8% under AM1.5 illumination (85 mWcm(-2)) compared to other devices. (C) 2012 Elsevier Ltd. All rights reserved.