4-(dicyanomethylene)-2-methyl-6-[N-(4-tert-butylphenyl)-phenothiazylene]

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(dicyanomethylene)-2-methyl-6-[N-(4-tert-butylphenyl)-phenothiazylene]
• 英文别名: 2-[2-[(E)-2-[10-(4-tert-butylphenyl)phenothiazin-3-yl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile
• 化学式: C₃₃H₂₇N₃OS
• 分子量: 513.663
• InChiKey: AFVTYEIHDJYHCK-OQLLNIDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  85.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  10-(4'-tert-butylphenyl)-10H-phenothiazine 在 哌啶 、 三氯氧磷 作用下， 以 丙醇 、 1,2-二氯乙烷 为溶剂， 反应 72.0h， 生成 4-(dicyanomethylene)-2-methyl-6-[N-(4-tert-butylphenyl)-phenothiazylene]
  参考文献：
  名称：

  A Novel Phenothiazine Derivative for Application in High Performance Red Emitting Electroluminescent Device

  摘要：

  The new red emitting materials based on phenothiazine and DCM were synthesized by Knoevenagel condensation following Vilsmeyer-Haack formulation. The obtained materials showed good thermal stability and amorphous property. The ITO/CuPc/NPB/Alq(3) :KSR-1 (0.2%)/Alq(3)/LiF/Al device showed 3.5 cd/A of efficiency and CIE color coordinate of (0.46, 0.47) at 10 mA/cm(2) and 29000 cd/m(2) of maximum brightness at 11V and 512 mA/cm(2) . In the device using the Alq(3) :KSR-1 (0.5%) as emitting material device, 1.5 cd/A of efficiency and CIE color coordinate of (0.55, 0.42) at 10 mA/cm(2) and 19200 cd/m(2) of maximum brightness at 12 V and 702 mA/cm(2) were observed.

  DOI：

  10.1080/15421400500365086

文献信息

• A Novel Phenothiazine Derivative for Application in High Performance Red Emitting Electroluminescent Device
  作者：Yun-Hi Kim、Hyung-Sun Kim、Kwang-Hoi Lee、Soon-Ki Kwon、Sung-Han Kim

  DOI：10.1080/15421400500365086

  日期：2006.2.1

  The new red emitting materials based on phenothiazine and DCM were synthesized by Knoevenagel condensation following Vilsmeyer-Haack formulation. The obtained materials showed good thermal stability and amorphous property. The ITO/CuPc/NPB/Alq(3) :KSR-1 (0.2%)/Alq(3)/LiF/Al device showed 3.5 cd/A of efficiency and CIE color coordinate of (0.46, 0.47) at 10 mA/cm(2) and 29000 cd/m(2) of maximum brightness at 11V and 512 mA/cm(2) . In the device using the Alq(3) :KSR-1 (0.5%) as emitting material device, 1.5 cd/A of efficiency and CIE color coordinate of (0.55, 0.42) at 10 mA/cm(2) and 19200 cd/m(2) of maximum brightness at 12 V and 702 mA/cm(2) were observed.