Tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]benzo[f][2,1,3]benzoselenadiazol-9-yl]ethynyl]silane | 1418280-05-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]benzo[f][2,1,3]benzoselenadiazol-9-yl]ethynyl]silane
• 英文别名: tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]benzo[f][2,1,3]benzoselenadiazol-9-yl]ethynyl]silane
• CAS: 1418280-05-3
• 化学式: C₃₂H₄₆N₂SeSi₂
• 分子量: 593.862
• InChiKey: BGPIHEYYCIAABK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.98
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,4-双((三异丙基甲硅烷基)乙炔基)-2,3-二氢萘-2,3-二胺 在 selenium(IV) oxide 作用下， 以 乙醇 、 水 为溶剂， 以79%的产率得到Tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]benzo[f][2,1,3]benzoselenadiazol-9-yl]ethynyl]silane
  参考文献：
  名称：

  From Thia- to Selenadiazoles: Changing Interaction Priority

  摘要：

  The synthesis, optical, and electrochemical properties as well as solid-state structures of a series of alkynylated, benzannulated selenadiazoles are reported. This set of compounds Is compared to the lighter homologue series, the thiadiazoles. The selenadiazoles show head-to-head dimerization in the solid state, while packing of the thiadiazoles was dominated by the steric bulk of the side groups. The Se-N interaction is a supramolecular motif that should drive the effective self-assembly and modulate charge transport when these compounds are used as thin films in devices.

  DOI：

  10.1021/ol303490b