2-(6,8-di-tert-butyl-2-(4-((4-tert-butylphenyl)(3,7-di-tert-butylnaphthalen-1-yl)amino)styryl)-4H-chromen-4-ylidene)malononitrile | 1357267-65-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(6,8-di-tert-butyl-2-(4-((4-tert-butylphenyl)(3,7-di-tert-butylnaphthalen-1-yl)amino)styryl)-4H-chromen-4-ylidene)malononitrile
• CAS: 1357267-65-2
• 化学式: C₅₆H₆₃N₃O
• 分子量: 794.136
• InChiKey: HEWUZUVMXLUXRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.59
• 重原子数：
  60.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  60.05
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (6,8-di-tert-butyl-2-methyl-4H-chromen-4-ylidene)malononitrile 、 4-((4-tert-butylphenyl)(3,7-di-tert-butylnaphthalen-1-yl)amino)benzaldehyde 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以70%的产率得到2-(6,8-di-tert-butyl-2-(4-((4-tert-butylphenyl)(3,7-di-tert-butylnaphthalen-1-yl)amino)styryl)-4H-chromen-4-ylidene)malononitrile
  参考文献：
  名称：

  Synthesis and Electroluminescent Properties of t-Butylated 2-(2-(4-(Diarylamino)styryl)-4H-chromen-4-ylidene)malononitrile Derivatives for OLED

  摘要：

  We designed and synthesized new red fluorescent materials based on t-butylated 2-(2-(4-(diarylamino)styryl)-4H-chromen-4-ylidene)malononitrile derivatives (3a-3d). A device using 2-(6,8-di-tert-butyl-2-(4-((4-tert-butylphenyl)(2,7-di-tert-butyl-9,9-diethyl-9H-fluoren-4-yl)amino)styryl)-4H-chromen-4-ylidene)malononitrile (3a) as a dopant showed efficient red electroluminescent properties with a maximum luminance of 3357 cd/m(2) at 15.0 V, and maximum luminous and power efficiencies of 1.12 cd/A and 0.60 lm/W, respectively. The CIE coordinates of this device using this material was (0.64, 0.35) at 7.0 V, and this device also showed stable color chromaticity at various voltages.

  DOI：

  10.1080/15421406.2011.599771