N,N'-bis(2-decyltetradecyl)-2,6-bis[(trimethylsilyl)ethynyl]-1,4,5,8-naphthalenediimide | 1429480-65-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N,N'-bis(2-decyltetradecyl)-2,6-bis[(trimethylsilyl)ethynyl]-1,4,5,8-naphthalenediimide
• CAS: 1429480-65-8
• 化学式: C₇₂H₁₁₈N₂O₄Si₂
• 分子量: 1131.91
• InChiKey: CBZMJKFDTPGDMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.41
• 重原子数：
  80.0
• 可旋转键数：
  44.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  74.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N,N'-bis(2-decyltetradecyl)-2,6-bis[(trimethylsilyl)ethynyl]-1,4,5,8-naphthalenediimide 在 sodiumsulfide nonahydrate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 15.0h， 以40%的产率得到N,N'-bis(2-decyltetradecyl)-2,7-bis(trimethylsilyl)naphtho[2,3-b:6,7-b']dithiophene-4,5,9,10-diimide
  参考文献：
  名称：

  Naphthodithiophenediimide (NDTI): Synthesis, Structure, and Applications

  摘要：

  A straightforward synthesis of alpha,beta-unsubstituted and alpha-halogenated naphtho[2,3-b:6,7-b']-dithiophenediimides (NDTIs) is described. Electrochemical and optical studies of N,N-dioctyl-NDTI demonstrate that the compound has a low-lying LUMO energy level (4.0 eV below the vacuum level) and a small HOMO-LUMO gap (similar to 2.1 eV). With its interesting electronic and optical properties, in addition to its planar structure, NDTI is a promising building block for the development of novel pi-functional materials. In fact, it afforded n-channel, p-channel, and ambipolar materials, depending on the molecular modification.

  DOI：

  10.1021/ja404753r