4,11-bis-[(triisopropylsilanyl)-ethynyl]-2-selena-1,3-diaza-cyclopenta[b]anthracene | 1418280-07-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 4,11-bis-[(triisopropylsilanyl)-ethynyl]-2-selena-1,3-diaza-cyclopenta[b]anthracene
• 英文别名: Tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]naphtho[2,3-f][2,1,3]benzoselenadiazol-11-yl]ethynyl]silane；tri(propan-2-yl)-[2-[4-[2-tri(propan-2-yl)silylethynyl]naphtho[2,3-f][2,1,3]benzoselenadiazol-11-yl]ethynyl]silane
• CAS: 1418280-07-5
• 化学式: C₃₆H₄₈N₂SeSi₂
• 分子量: 643.922
• InChiKey: UMTRLTBBAOLTII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.13
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 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-bis((triisopropylsilyl)ethynyl)anthracene-2,3-diamine 在 selenium(IV) oxide 作用下， 以 乙醇 、 水 为溶剂， 以74%的产率得到4,11-bis-[(triisopropylsilanyl)-ethynyl]-2-selena-1,3-diaza-cyclopenta[b]anthracene
  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

文献信息

• From Thia- to Selenadiazoles: Changing Interaction Priority
  作者：Benjamin D. Lindner、Benjamin A. Coombs、Manuel Schaffroth、Jens U. Engelhart、Olena Tverskoy、Frank Rominger、Manuel Hamburger、Uwe H. F. Bunz

  DOI：10.1021/ol303490b

  日期：2013.2.1

  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.