(E)-2-(3-cyano-4-(2-(9-ethyl-9H-carbazol-3-yl)vinyl)-5,5′-dimethylfuran-2(5H)-ylidene)malononitrile

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (E)-2-(3-cyano-4-(2-(9-ethyl-9H-carbazol-3-yl)vinyl)-5,5′-dimethylfuran-2(5H)-ylidene)malononitrile
• 化学式: C₂₆H₂₀N₄O
• 分子量: 404.471
• InChiKey: GWOMQSVDQVXVLW-PKNBQFBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  31.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  85.53
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3-羟基-3-甲基-2-丁酮 在 哌啶 、 lithium 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 44.0h， 生成 (E)-2-(3-cyano-4-(2-(9-ethyl-9H-carbazol-3-yl)vinyl)-5,5′-dimethylfuran-2(5H)-ylidene)malononitrile
  参考文献：
  名称：

  Tuning the solid-state emission of small push-pull dipolar dyes to the far-red through variation of the electron-acceptor group

  摘要：

  Series of solid-state emitters based on the D-pi-A dipolar structure and featuring various electron-donor and electron-acceptor groups were designed, and their spectroscopic properties studied. From weak emission in dilute solutions, intense emissions in aggregated state (ATE) and in the crystalline state were obtained. Analysis in light of crystal structures obtained by X-ray diffraction revealed specific crystal packing and presence of long chain of emitting aggregates. This simple molecular engineering around the D-pi-A dipolar structure provides easy access to a wide range of effective solid-state emitters allowing modulation of emission wavelengths up to the near infrared (lambda(em) reaching 735 and 768 nm for compound 2f and 3f bearing the strongest electron-withdrawing group).

  DOI：

  10.1016/j.dyepig.2018.03.049

文献信息

• Tuning the solid-state emission of small push-pull dipolar dyes to the far-red through variation of the electron-acceptor group
  作者：Sébastien Redon、Gwenaëlle Eucat、Martin Ipuy、Erwann Jeanneau、Isabelle Gautier-Luneau、Alain Ibanez、Chantal Andraud、Yann Bretonnière

  DOI：10.1016/j.dyepig.2018.03.049

  日期：2018.9

  Series of solid-state emitters based on the D-pi-A dipolar structure and featuring various electron-donor and electron-acceptor groups were designed, and their spectroscopic properties studied. From weak emission in dilute solutions, intense emissions in aggregated state (ATE) and in the crystalline state were obtained. Analysis in light of crystal structures obtained by X-ray diffraction revealed specific crystal packing and presence of long chain of emitting aggregates. This simple molecular engineering around the D-pi-A dipolar structure provides easy access to a wide range of effective solid-state emitters allowing modulation of emission wavelengths up to the near infrared (lambda(em) reaching 735 and 768 nm for compound 2f and 3f bearing the strongest electron-withdrawing group).