2-(4-(isoquinolin-4-yl)phenyl)-1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazole | 1523543-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-(4-(isoquinolin-4-yl)phenyl)-1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazole
• 英文别名: 2-(4-Isoquinolin-4-ylphenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole；2-(4-isoquinolin-4-ylphenyl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole
• CAS: 1523543-84-1
• 化学式: C₃₇H₂₅N₃O
• 分子量: 527.625
• InChiKey: CZWIXPQDWAGXQX-UHFFFAOYSA-N

物化性质

• 沸点：
  780.2±70.0 °C(predicted)
• 密度：
  1.24±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  41
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-溴异喹啉 在 四(三苯基膦)钯 、 ammonium acetate 、 potassium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 2-(4-(isoquinolin-4-yl)phenyl)-1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazole
  参考文献：
  名称：

  Synthesis, characterisation and electroluminescence behaviour of π-conjugated imidazole–isoquinoline derivatives

  摘要：

  A series of highly fluorescent, isoquinoline it-conjugated imidazole derivatives have been synthesized and fully characterized. Their photophysical, electrochemical and thermal properties have also been discussed. The interplay of amorphous and crystalline nature of the compounds in thin film and fine powder have been analysed by using X-ray diffraction and atomic force microscopic (AFM) techniques. An organic light emitting diode consisting of 4-(4-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2yl)phenyl)isoquinoline as the emitting layer doped with 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl (CPB) showed ideal blue emission (CIE: 0.16, 0.08). "Pure" white light (CIE: 0.34, 0.32) comprising of a blue light from excimers and an orange light from electromers at a high voltage has been achieved by using the compounds 2-(4-(isoquinolin-4-yl)phenyl)-1H-phenanthro[9,10-d]imidazole & 2-(4-(isoquinolin-4-yl) phenyl)-1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazole as single-emitting components. To elucidate the structural and optical properties, computational calculations have been performed. Computed results reveal all the electronic transitions are of pi -> pi* type and energy of the S-0 -> S-1 follows same variation trend with the band gap. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.11.002