1-(1-pyrenyl)-3-(2-(N-methyl)indolyl)propane | 135108-08-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-(1-pyrenyl)-3-(2-(N-methyl)indolyl)propane
• 英文别名: 1-(1-pyrenyl)-3-(1-methyl-2-indolyl)propane；1-methyl-2-(3-pyren-1-ylpropyl)indole
• CAS: 135108-08-6
• 化学式: C₂₈H₂₃N
• 分子量: 373.497
• InChiKey: ULQKMGYHKGAZDL-UHFFFAOYSA-N

物化性质

• 沸点：
  586.1±19.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.25
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  4.93
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  1-乙酰基芘 、 1-甲基吲哚-2-甲酸 生成 1-(1-pyrenyl)-3-(2-(N-methyl)indolyl)propane
  参考文献：
  名称：

  取代对P与吲哚部分分子内激基复合物形成的影响

  摘要：

  Using stationary fluorescence spectroscopy and single-photon timing, intramolecular exciplex formation between pyrene and indole, connected by a propyl chain, was investigated in isooctane, diethyl ether, and acetonitrile. Three different compounds, where the propyl chain was connected to the 1-, 2-, and 3-position of the indole chromophore, respectively were compared to evaluate the influence of the position of the linking chain on the energetic and kinetic aspects of the intramolecular exciplex formation. While 1-(1-pyrenyl)-3-(1-indolyl)propane follows over a large range of solvents, a kinetic behavior analogous to that proposed for intermolecular exciplexes such a behavior is for 1-(1-pyrenyl)-3-(2-indolyl)propane only observed in isooctane. For 1-(1-pyrenyl)-3-(2-indolyl)propane in more polar solvents and 1-(1-pyrenyl)-3-(3-indolyl)propane in all solvents studied at least three different kinetic species can be distinguished in the excited state. Compartmental analysis in the presence of a quencher allowed one to determine without any a priori assumption the different decay parameters of 1Py2In in isooctane at room temperature. The more complicated excited state kinetics of 1Py3In did not allow a more detailed analysis.

  DOI：

  10.1021/j100057a003