8-dicyanovinyl-6H-indolo[1,2-b]naphthalene | 1187775-01-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 8-dicyanovinyl-6H-indolo[1,2-b]naphthalene
• 英文别名: NCN；2-(11H-benzo[a]carbazol-9-ylmethylidene)propanedinitrile
• CAS: 1187775-01-4
• 化学式: C₂₀H₁₁N₃
• 分子量: 293.327
• InChiKey: BUTAEIREUKCDCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  8-formyl-6H-indolo[1,2-b]naphthalene 、 丙二腈 在 吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 8-dicyanovinyl-6H-indolo[1,2-b]naphthalene
  参考文献：
  名称：

  Dicyanovinyl Heterotetracenes: Synthesis, Solid-State Structures, and Photophysical Properties

  摘要：

  Two asymmetrically substituted dicyanovinyl heterotetracenes are synthesized and characterized. Single-crystal X-ray diffractions indicate both intermolecular hydrogen bonds and T-stacking existing in the solid-state structures. The solvatochromic behaviors of the two heterotetracenes were investigated in a variety of solvents. Both experimental and computational results suggest that the two heterotetracenes have low-lying lowest unoccupied molecular orbitals and thus may be potential n-type or bipolar organic semiconductors for organic electronics.

  DOI：

  10.1021/jo901381f

文献信息

• Dicyanovinyl Heterotetracenes: Synthesis, Solid-State Structures, and Photophysical Properties
  作者：Chunyan Du、Jianming Chen、Yunlong Guo、Kun Lu、Shanghui Ye、Jian Zheng、Yunqi Liu、Zhigang Shuai、Gui Yu

  DOI：10.1021/jo901381f

  日期：2009.10.2

  Two asymmetrically substituted dicyanovinyl heterotetracenes are synthesized and characterized. Single-crystal X-ray diffractions indicate both intermolecular hydrogen bonds and T-stacking existing in the solid-state structures. The solvatochromic behaviors of the two heterotetracenes were investigated in a variety of solvents. Both experimental and computational results suggest that the two heterotetracenes have low-lying lowest unoccupied molecular orbitals and thus may be potential n-type or bipolar organic semiconductors for organic electronics.