6,7,15,16-tetrachloroquinoxalino[2',3':9,10]phenanthro[4,5-abc]phenazine | 947368-09-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 6,7,15,16-tetrachloroquinoxalino[2',3':9,10]phenanthro[4,5-abc]phenazine
• 英文别名: 6,7,21,22-Tetrachloro-3,10,18,25-tetrazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1(31),2,4,6,8,10,12(32),13,15,17,19,21,23,25,27,29-hexadecaene；6,7,21,22-tetrachloro-3,10,18,25-tetrazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1(31),2,4,6,8,10,12(32),13,15,17,19,21,23,25,27,29-hexadecaene
• CAS: 947368-09-4
• 化学式: C₂₈H₁₀Cl₄N₄
• 分子量: 544.226
• InChiKey: PFNUQDAQNQGRIE-UHFFFAOYSA-N

物化性质

• 沸点：
  819.5±60.0 °C(predicted)
• 密度：
  1.705±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6,7,15,16-tetrachloroquinoxalino[2',3':9,10]phenanthro[4,5-abc]phenazine 、 十二硫醇 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 168000.0h， 以63%的产率得到6,7,15,16-tetrakis(dodecylthio)quinoxalino[2',3':9,19]phenanthro[4,5-abc]phenazine
  参考文献：
  名称：

  Synthesis of novel pyrene discotics for potential electronic applications

  摘要：

  Novel pyrene discotics, 6,7,15,16-tetrakis(alkylthio)quinoxalino[2',3':9,10]phenanthro[4,5-abc]phenazines, TQPP-[SR](4), were synthesized efficiently. The HOMO and LUMO energy levels of TQPP-[SR]4 were estimated to be 5.57 eV and 2.97 eV, respectively. The average saturation hole mobility of TQPP-[C12H25](4) was similar to 10(-3) cm(2) V-1 S-1. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.121
• 作为产物：
  描述：

  4,5-二氯邻苯二胺 、 芘- 4,5,9,10 -四酮 以 乙醇 、 溶剂黄146 为溶剂， 反应 24.0h， 以90%的产率得到6,7,15,16-tetrachloroquinoxalino[2',3':9,10]phenanthro[4,5-abc]phenazine
  参考文献：
  名称：

  Synthesis of novel pyrene discotics for potential electronic applications

  摘要：

  Novel pyrene discotics, 6,7,15,16-tetrakis(alkylthio)quinoxalino[2',3':9,10]phenanthro[4,5-abc]phenazines, TQPP-[SR](4), were synthesized efficiently. The HOMO and LUMO energy levels of TQPP-[SR]4 were estimated to be 5.57 eV and 2.97 eV, respectively. The average saturation hole mobility of TQPP-[C12H25](4) was similar to 10(-3) cm(2) V-1 S-1. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.121

文献信息

• Synthesis of novel pyrene discotics for potential electronic applications
  作者：Bilal R. Kaafarani、Leah A. Lucas、Brigitte Wex、Ghassan E. Jabbour

  DOI：10.1016/j.tetlet.2007.06.121

  日期：2007.8

  Novel pyrene discotics, 6,7,15,16-tetrakis(alkylthio)quinoxalino[2',3':9,10]phenanthro[4,5-abc]phenazines, TQPP-[SR](4), were synthesized efficiently. The HOMO and LUMO energy levels of TQPP-[SR]4 were estimated to be 5.57 eV and 2.97 eV, respectively. The average saturation hole mobility of TQPP-[C12H25](4) was similar to 10(-3) cm(2) V-1 S-1. (c) 2007 Elsevier Ltd. All rights reserved.