| 1403578-22-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1403578-22-2
• 化学式: C₆₀H₆₈S₆
• 分子量: 981.596
• InChiKey: QMYNMDDFCVOZFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.65
• 重原子数：
  66.0
• 可旋转键数：
  24.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 碘 、 methyloxirane 作用下， 以 甲苯 为溶剂， 以81%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
• 作为产物：
  描述：

  5-己基噻吩-2-硼酸频那醇酯 、 5,11-bis(dibromomethylene)anthra[2,3-b:7,6-b’]dithiophene 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 以84%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