14,29-Bis(2-decyltetradecyl)-3-thia-10,14,18,25,29-pentazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1,4,6,8,11,16(32),17,19,21,23,25,27(31)-dodecaene-13,15,28,30-tetrone | 1420467-92-0

• 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: 14,29-Bis(2-decyltetradecyl)-3-thia-10,14,18,25,29-pentazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1,4,6,8,11,16(32),17,19,21,23,25,27(31)-dodecaene-13,15,28,30-tetrone
• 英文别名: 14,29-bis(2-decyltetradecyl)-3-thia-10,14,18,25,29-pentazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1,4,6,8,11,16(32),17,19,21,23,25,27(31)-dodecaene-13,15,28,30-tetrone
• CAS: 1420467-92-0
• 化学式: C₇₄H₁₀₇N₅O₄S
• 分子量: 1162.76
• InChiKey: DFDLRGXGWUXKKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.1
• 重原子数：
  84
• 可旋转键数：
  44
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  138
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4,5,9,10-四溴-2,7-二(2-癸基十四烷基)苯并[LMN][3,8]邻二氮杂菲-1,3,6,8(2H,7H)-四酮 在 potassium carbonate 、 lead dioxide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 14,29-Bis(2-decyltetradecyl)-3-thia-10,14,18,25,29-pentazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1,4,6,8,11,16(32),17,19,21,23,25,27(31)-dodecaene-13,15,28,30-tetrone
  参考文献：
  名称：

  Synthesis and Properties of Heterocyclic Acene Diimides

  摘要：

  A series of heterocyclic acene diimides were synthesized effectively based on the condensation of o-phenylenediamine, 1,2-benzenedithiol, and 2-aminothiophenol with 2,3,6,7-tetrabromo-1,4,5,8-naphthalene tetracarboxylic diimide. The diimides exhibit interesting optical and electrical properties with one of them showing a hole mobility up to 0.02 cm(2) V-1 s(-1).

  DOI：

  10.1021/ol303551p

文献信息

• Synthesis and Properties of Heterocyclic Acene Diimides
  作者：Cheng Li、Chengyi Xiao、Yan Li、Zhaohui Wang

  DOI：10.1021/ol303551p

  日期：2013.2.1

  A series of heterocyclic acene diimides were synthesized effectively based on the condensation of o-phenylenediamine, 1,2-benzenedithiol, and 2-aminothiophenol with 2,3,6,7-tetrabromo-1,4,5,8-naphthalene tetracarboxylic diimide. The diimides exhibit interesting optical and electrical properties with one of them showing a hole mobility up to 0.02 cm(2) V-1 s(-1).