8,15-bis((triisopropylsilyl)ethynyl)-5,6a,7,16,16a,18-hexahydro-5,18:7,16-bis([1,2]benzeno)heptacene-6,17-dione | 867145-05-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 8,15-bis((triisopropylsilyl)ethynyl)-5,6a,7,16,16a,18-hexahydro-5,18:7,16-bis([1,2]benzeno)heptacene-6,17-dione
• CAS: 867145-05-9
• 化学式: C₆₄H₆₆O₂Si₂
• 分子量: 923.398
• InChiKey: OGIADSIPRGIENU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.69
• 重原子数：
  68.0
• 可旋转键数：
  6.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  8,15-bis((triisopropylsilyl)ethynyl)-5,6a,7,16,16a,18-hexahydro-5,18:7,16-bis([1,2]benzeno)heptacene-6,17-dione 、 1-碘己烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Conjugated Polymers Containing Large Soluble Diethynyl Iptycenes

  摘要：

  graph An efficient synthesis of large lptycenes appended with alkoxy and ethynyl substituents is reported. The rigid shape-persistent iptycene scaffold prevents interactions between the polymer backbones and can be used to solubilize polymers containing less soluble but readily accessible comonomers to prepare functional, solution-processible poly(p-phenyleneethynylene) (PPE)-conjugated polymers. These polymers are highly emissive in thin films without significant excimer/exciplex formation as a result of the effective chain isolation enforced by the iptycene units.

  DOI：

  10.1021/ol051484c
• 作为产物：
  描述：

  6,13-bis(triisopropylsilylethynyl)-5,14-dihydropentacene 、 9,10-二氢-9,10[1',2']-苯并蒽-1,4-二酮 以 甲苯 为溶剂， 反应 3.0h， 生成 8,15-bis((triisopropylsilyl)ethynyl)-5,6a,7,16,16a,18-hexahydro-5,18:7,16-bis([1,2]benzeno)heptacene-6,17-dione
  参考文献：
  名称：

  Conjugated Polymers Containing Large Soluble Diethynyl Iptycenes

  摘要：

  graph An efficient synthesis of large lptycenes appended with alkoxy and ethynyl substituents is reported. The rigid shape-persistent iptycene scaffold prevents interactions between the polymer backbones and can be used to solubilize polymers containing less soluble but readily accessible comonomers to prepare functional, solution-processible poly(p-phenyleneethynylene) (PPE)-conjugated polymers. These polymers are highly emissive in thin films without significant excimer/exciplex formation as a result of the effective chain isolation enforced by the iptycene units.

  DOI：

  10.1021/ol051484c