2-(4-methoxyphenyl)-6-(piperidin-1-yl)-3-phenyl-4-(pyren-1-yl)benzonitrile | 1330065-86-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2-(4-methoxyphenyl)-6-(piperidin-1-yl)-3-phenyl-4-(pyren-1-yl)benzonitrile
• 英文别名: 2-(4-Methoxyphenyl)-3-phenyl-6-piperidin-1-yl-4-pyren-1-ylbenzonitrile
• CAS: 1330065-86-5
• 化学式: C₄₁H₃₂N₂O
• 分子量: 568.718
• InChiKey: UTWOTFXNXZGQMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  44
• 可旋转键数：
  5
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-甲氧基-2-苯基苯乙酮 、 6-(1-pyrenyl)-2-oxo-4-piperidin-1-yl-2H-pyran-3-carbonitrile 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以75%的产率得到2-(4-methoxyphenyl)-6-(piperidin-1-yl)-3-phenyl-4-(pyren-1-yl)benzonitrile
  参考文献：
  名称：

  Thermally Stable Nonaggregating Pyrenylarenes for Blue Organic Light-Emitting DevicesCDRI communication No. 8097.

  摘要：

  A new series of thermally stable blue light-emitting nonplanar pyrenylarenes having an amine donor and a nitrile acceptor group was prepared from a ketene-S,S-acetal under conventional heating and/or microwave irradiation. The photophysical, electrochemical, and optical behavior of donor acceptor pyrenylarenes are demonstrated. The performance of blue light-emitting pyrenylarenes was investigated by fabricating a multilayer device with the device configuration of ITO/PEDOT:PSS (40 nm)/NPB (30 nm)/pyrenylarene (55 nm)/BCP (8 nm)/LiF (0.6 nm)/Al (200 nm), which exhibited low turn-on voltage (5 V) with luminance efficiency of 0.8 Cd/A with nonaggregation behavior in both solution and solid state.

  DOI：

  10.1021/jo2011768