| 1403578-35-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• CAS: 1403578-35-7
• 化学式: C₄₄H₄₈S₄Si₄
• 分子量: 817.471
• InChiKey: JVVWMPAECOGQQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  52.0
• 可旋转键数：
  6.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 0.5h， 以85%的产率得到2,5,8,11-tetra(trimethylsilyl)coroneno[2,1-b:3,4-b’:8,7-b’’:9,10-b’’’]tetrathiophene
  参考文献：
  名称：

  Hexathienocoronenes: Synthesis and Self-Organization

  摘要：

  Here we report hexathienocoronenes (HTCs), fully thiophene-annelated coronenes in which six double bonds in the periphery are thieno-fused. The derivatives tetrasubstituted with hexyl and dodecyl chains show a phase formation that strongly depends on the chain length. HTCs are remarkably stronger donors than the known thiophene-annelated coronenes but do not readily assemble into well-ordered films when deposited from the vapor phase. Thus, thin-film transistors fabricated by vacuum deposition have only modest field-effect mobilities of 0.002 cm(2) V-1 s(-1).

  DOI：

  10.1021/ja3082395
• 作为产物：
  描述：

  9,10-bis(bis(5-(trimethylsilyl)thiophen-2-yl)methylene)-9,10-dihydroanthracene 在 碘 、 methyloxirane 作用下， 以 甲苯 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  Hexathienocoronenes: Synthesis and Self-Organization

  摘要：

  Here we report hexathienocoronenes (HTCs), fully thiophene-annelated coronenes in which six double bonds in the periphery are thieno-fused. The derivatives tetrasubstituted with hexyl and dodecyl chains show a phase formation that strongly depends on the chain length. HTCs are remarkably stronger donors than the known thiophene-annelated coronenes but do not readily assemble into well-ordered films when deposited from the vapor phase. Thus, thin-film transistors fabricated by vacuum deposition have only modest field-effect mobilities of 0.002 cm(2) V-1 s(-1).

  DOI：

  10.1021/ja3082395