4,5-bis[9-[[4-(9-anthracenyl)ethynyl-9,9-didodecylxanthen-5-yl]ethynyl]anthracen-10-ylethynyl]-9,9-didodecylxanthene | 1228689-09-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4,5-bis[9-[[4-(9-anthracenyl)ethynyl-9,9-didodecylxanthen-5-yl]ethynyl]anthracen-10-ylethynyl]-9,9-didodecylxanthene
• 英文别名: 4,5-Bis[2-[10-[2-[5-(2-anthracen-9-ylethynyl)-9,9-didodecylxanthen-4-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-didodecylxanthene；4,5-bis[2-[10-[2-[5-(2-anthracen-9-ylethynyl)-9,9-didodecylxanthen-4-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-didodecylxanthene
• CAS: 1228689-09-5
• 化学式: C₁₇₉H₂₀₂O₃
• 分子量: 2401.57
• InChiKey: YBQXHAWIRFJHHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  67
• 重原子数：
  182
• 可旋转键数：
  78
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-[2-(9-anthracenyl)ethynyl]-5-iodo-9,9-didodecylxanthene 、 4,5-bis[2-[9-(trimethylsilylethynyl)anthracen-10-yl]ethynyl]-9,9-didodecylxanthene 在 copper(l) iodide 、 四(三苯基膦)钯 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以33%的产率得到4,5-bis[9-[[4-(9-anthracenyl)ethynyl-9,9-didodecylxanthen-5-yl]ethynyl]anthracen-10-ylethynyl]-9,9-didodecylxanthene
  参考文献：
  名称：

  Synthesis of Anthracene-Stacked Oligomers and Polymer

  摘要：

  Anthracene-stacked oligomers and a polymer were synthesized using a xanthene skeleton as the scaffold, and their structures and properties were fully characterizud. Intramolecular pi-pi stacking of the anthracene rings in the ground state and excited state was observed.

  DOI：

  10.1021/ol1011295

文献信息

• Synthesis of Anthracene-Stacked Oligomers and Polymer
  作者：Yasuhiro Morisaki、Toshiyuki Sawamura、Takuya Murakami、Yoshiki Chujo

  DOI：10.1021/ol1011295

  日期：2010.7.16

  Anthracene-stacked oligomers and a polymer were synthesized using a xanthene skeleton as the scaffold, and their structures and properties were fully characterizud. Intramolecular pi-pi stacking of the anthracene rings in the ground state and excited state was observed.