6,7,15,16-tetrakis(dodecylthio)quinoxalino[2',3':9,19]phenanthro[4,5-abc]phenazine

• 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-tetrakis(dodecylthio)quinoxalino[2',3':9,19]phenanthro[4,5-abc]phenazine
• 英文别名: quinoxalino[2′,3′:9,10]phenanthro[4,5-abc]phenazine-[H]₂-[S12H25]₄；6,7,21,22-Tetrakis(dodecylsulfanyl)-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-tetrakis(dodecylsulfanyl)-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
• 化学式: C₇₆H₁₁₀N₄S₄
• 分子量: 1208.0
• InChiKey: GLRGUDJNJFLYNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.5
• 重原子数：
  84
• 可旋转键数：
  48
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  153
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  芘- 4,5,9,10 -四酮 在 potassium carbonate 作用下， 以 乙醇 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 168024.0h， 生成 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