7,16-dihydro-[p,r]-dibenzo-5,7,8,9,14,15,16,18-octaazaheptacene | 1141756-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 7,16-dihydro-[p,r]-dibenzo-5,7,8,9,14,15,16,18-octaazaheptacene
• 英文别名: 2,4,19,21,23,27,34,38-Octazanonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.026,35.028,33]octatriaconta-1,3,5(18),6,8,10,12,14,16,19,21,24,26,28,30,32,34,36-octadecaene
• CAS: 1141756-99-1
• 化学式: C₃₀H₁₆N₈
• 分子量: 488.511
• InChiKey: CYTRGRVCHGUCMG-UHFFFAOYSA-N

物化性质

• 密度：
  1.516±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  38
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,3-二氨基吩嗪 、 dibenzo[f,h]pyrazino[2,3-b]quinoxaline-11,12-dicarbonitrile 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以30%的产率得到7,16-dihydro-[p,r]-dibenzo-5,7,8,9,14,15,16,18-octaazaheptacene
  参考文献：
  名称：

  Pyrazinacenes: Aza Analogues of Acenes

  摘要：

  A series of edge-sharing condensed oligopyrazine analogues of acenes, the pyrazinacenes, Were synthesized and characterized. X-ray crystallographic determinations revealed intermolecular interactions that affect the propensity of the molecules to undergo pi-pi stacking. Increasing heteroatom substitution of the acene framework induces shorter intermolecular pi-pi stacking distances (shorter than for graphite) probably due to lower van der Waals radius of nitrogen atoms. Hydrogen bonding is also a determining Factor in the ease of compounds containing reduced pyrazine rings. Combined electrochemical, electronic absorption, and computational investigations indicate the Substantial electron deficiency of the compounds composed of fused pyrazine rings. The pyrazinacenes are expected to be good candidates as materials for organic thin film transistors.

  DOI：

  10.1021/jo901832n