2-[4-[(E)-2-[9,10-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-2-yl]ethenyl]-3-cyano-5,5-dimethylfuran-2-ylidene]propanedinitrile | 1260094-19-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2-[4-[(E)-2-[9,10-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-2-yl]ethenyl]-3-cyano-5,5-dimethylfuran-2-ylidene]propanedinitrile
• CAS: 1260094-19-6
• 化学式: C₃₆H₂₇N₃OS₈
• 分子量: 774.158
• InChiKey: XRFFAJFMNXOHIZ-WYMLVPIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  48
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  283
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-(3-氰基-4,5,5-三甲基呋喃-2(5H)-亚甲基)丙二腈 、 2-formyl-9,10-bis(4,5-dimethylthio-1,3-dithiol-2-ylidene)dihydroanthracene 以 氯仿 为溶剂， 反应 2.0h， 以41%的产率得到2-[4-[(E)-2-[9,10-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-2-yl]ethenyl]-3-cyano-5,5-dimethylfuran-2-ylidene]propanedinitrile
  参考文献：
  名称：

  ExTTF-Based Dyes Absorbing over the Whole Visible Spectrum

  摘要：

  New push pull dyes featuring pi-extended tetrathiafulvalene (exTTF) as the donor group and tricyanofuran (TCF) as the acceptor group were synthesized and characterized. Their broad absorption covers the entire visible spectral range and enters the near-infrared region. Electrochemistry and theoretical calculations provided an understanding of these singular electronic properties. The new dyes are appealing candidates as light harvesters in photovoltaic devices.

  DOI：

  10.1021/ol102845m

文献信息

• ExTTF-Based Dyes Absorbing over the Whole Visible Spectrum
  作者：Pierre-Antoine Bouit、Carmen Villegas、Juan Luis Delgado、Pedro M. Viruela、Rosendo Pou-Amérigo、Enrique Ortí、Nazario Martín

  DOI：10.1021/ol102845m

  日期：2011.2.18

  New push pull dyes featuring pi-extended tetrathiafulvalene (exTTF) as the donor group and tricyanofuran (TCF) as the acceptor group were synthesized and characterized. Their broad absorption covers the entire visible spectral range and enters the near-infrared region. Electrochemistry and theoretical calculations provided an understanding of these singular electronic properties. The new dyes are appealing candidates as light harvesters in photovoltaic devices.