2-(5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluoren-2-yl)thiophene | 1004790-48-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2-(5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluoren-2-yl)thiophene
• CAS: 1004790-48-0
• 化学式: C₆₇H₉₂S
• 分子量: 929.533
• InChiKey: ARAAKMTUDQLKIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.04
• 重原子数：
  68.0
• 可旋转键数：
  31.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2-(5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluoren-2-yl)thiophene 在 N-碘代丁二酰亚胺 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 反应 2.0h， 以90%的产率得到2-(9,9,18,18,27,27-Hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaenyl)-5-iodothiophene
  参考文献：
  名称：

  Molecular Wires Based on Thienylethynylene:  Synthesis, Photophysical Properties, and Excited-State Lifetime

  摘要：

  A series of pi-conjugated molecular wires based on thienylethynylene units have been developed to understand the effect of the molecular structures on their photophysical properties. The investigation of their photophysical properties indicates that the formation of aggregates at the ground state is effectively suppressed by the incorporation of truxene units. The excited-state lifetimes are observed to be biexponential for these molecular wires.

  DOI：

  10.1021/ol702467u
• 作为产物：
  描述：

  3-iodo-5,5,10,10,15,15-hexahexyltruxene 、 2-噻吩硼酸 在 四(三苯基膦)钯 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 生成 2-(5,5,10,10,15,15-hexahexyl-10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluoren-2-yl)thiophene
  参考文献：
  名称：

  Molecular Wires Based on Thienylethynylene:  Synthesis, Photophysical Properties, and Excited-State Lifetime

  摘要：

  A series of pi-conjugated molecular wires based on thienylethynylene units have been developed to understand the effect of the molecular structures on their photophysical properties. The investigation of their photophysical properties indicates that the formation of aggregates at the ground state is effectively suppressed by the incorporation of truxene units. The excited-state lifetimes are observed to be biexponential for these molecular wires.

  DOI：

  10.1021/ol702467u