(Z)-4-(2-[4,4''-bis(dimethylamino)-1,1':4',1''-terphenyl-2'-yl]-2'-1-cyanovinyl)benzonitrile | 1612226-75-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (Z)-4-(2-[4,4''-bis(dimethylamino)-1,1':4',1''-terphenyl-2'-yl]-2'-1-cyanovinyl)benzonitrile
• 英文别名: (2Z)-3-[4,4''-bis(dimethylamino)-1,1':4',1''-terphenyl-2'-yl]-2-(4-cyanophenyl)acetonitrile；BDAT-CP；4-[(Z)-2-[2,5-bis[4-(dimethylamino)phenyl]phenyl]-1-cyanoethenyl]benzonitrile
• CAS: 1612226-75-1
• 化学式: C₃₂H₂₈N₄
• 分子量: 468.601
• InChiKey: RWZRIDLAMVSKMB-ZTKZIYFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氰基苯乙腈 、 4,4''-bis(dimethylamino)-1,1':4',1''-terphenyl-2'-carbaldehyde 在 乙醇 、 sodium 作用下， 反应 168.0h， 以577 mg的产率得到(Z)-4-(2-[4,4''-bis(dimethylamino)-1,1':4',1''-terphenyl-2'-yl]-2'-1-cyanovinyl)benzonitrile
  参考文献：
  名称：

  Energy Transfer Efficiency Control from the Blue Emitting Aromatics to the Yellow Fluorescent Intramolecular Charge Transfer Type Dye for Electroluminescence

  摘要：

  An intramolecular charge transfer type yellow fluorescent material, (Z)-4-(2-[4,4- bis(dimethylamino)-1,1:4,1-terphenyl-2-yl]-2-1-cyanovinyl)benzonitrile (BDAT-CP) was synthesized for the implimentation to organic light emitting diodes (OLEDs). The molecules of the this catagory often have electro-conductivity and show high luminescence at longer wavelength in visible region. The BDAT-CP exhibited a large Stokes shift from 329nm (UV absorption maximum) to 628nm of photoluminescence(PL) in chloroform solvent. Solid powder PL showed yellow emission peaked at 582 nm. The device structures were indium tin oxide (ITO) / N,N-bis-(1-naphyl)-N,N-diphenyl-1,1-biphenyl-4,4-diamine (NPB, 50nm) / 2-methyl-9,10-bis(naphthalen-2-yl)anthracene (MADN, 30nm): BDAT-CP (x %) / 4,7-diphenyl-1,10-phenanthroline (BPhen, 30nm) / Liq(2nm) / Al. The maximum luminance measured were 14700 cd/m(2) (x = 5%), 9825 cd/m(2) (x = 10%) and 7901 cd/m(2) (x = 15%) for each BDAT-CP concentration. The luminance efficiency and quantum efficiency observed were 7.14 (x = 5%), 4.72 (x = 10%) and 3.19 (x = 15%), and 2.77 (x = 5%), 2.09 (x = 10%) and 1.59 (x = 15%), respectively. The device emitted yellow light corresponding to Commission Internationale de I'Eclairage (CIExy) coordinates of (0.492, 0.494) (x = 5%) and (0.523, 0.470) (x = 10%) and (0.545, 0.451) (x = 15%) at 8V. This study showed that the energy transfer from MADN to BDAT-CP was dependent on the concentration of yellow dye, which affected the hole transporting properties of the OLED.

  DOI：

  10.1080/15421406.2013.808149