(2Z)-3-[4,4''-bis(dimethylamino)-1,1':4',1"-terphenyl-2'-yl]-2-phenylacrylonitrile | 1369933-49-2

• 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: (2Z)-3-[4,4''-bis(dimethylamino)-1,1':4',1"-terphenyl-2'-yl]-2-phenylacrylonitrile
• 英文别名: (2Z)-3-[4,4''-bis(dimethylamino)-1,1':4',1''-terphenyl-2'-yl]-2-phenylacrylonitrile；(Z)-3-[2,5-bis[4-(dimethylamino)phenyl]phenyl]-2-phenylprop-2-enenitrile
• CAS: 1369933-49-2
• 化学式: C₃₁H₂₉N₃
• 分子量: 443.591
• InChiKey: GATCVNGIHHKGPO-SGWCAAJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  30.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,4''-bis(dimethylamino)-1,1':4',1''-terphenyl-2'-carbaldehyde 、 苯乙腈 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 96.0h， 以66.6%的产率得到(2Z)-3-[4,4''-bis(dimethylamino)-1,1':4',1"-terphenyl-2'-yl]-2-phenylacrylonitrile
  参考文献：
  名称：

  The Effect of the Molecular Structure on the Optoelectronic Properties of a Fluorophore for Use in Organic Light-Emitting Diodes

  摘要：

  一种新型黄光发光材料(2Z)-3-[4,4″-双(二甲氨基)-1,1′:4′,1″-三联苯-2′-基]-2-苯基丙烯腈(BDAT- P)，具有由红色荧光化合物(2Z,2'Z)-3,3'-[4,4”-双(二甲氨基)-1,1':4',1”-三联苯-改性的分子结构为了研究分子结构对发光材料光电性能的影响，合成了2',5'-二基]双(2-苯基丙烯腈) (ABCV-P)。表I总结了在不同溶剂系统中测得的紫外-可见吸收和光致发光（PL）发射峰。在各自的溶剂系统中，ABCV-PL发射峰相对于紫外-可见吸收峰的红移要大得多。 P 具有两个电子供体-受体对，而 BDAT-P 具有一个电子供体-受体对。使用 BDAT-P 和 ABCV-P 作为主体发射器的器件的 EL 发射峰值分别测量为 573 和 613 nm。使用 BDAT-P 的设备的国际委员会 (CIExy) 在 7 V 电压下的坐标测量结果为 (0.4855, 0.5021)，这对应于黄色。

  DOI：

  10.1166/jnn.2012.5887

文献信息

• A New Yellow Emissive Fluorescent Material for Highly Efficient Organic Light-Emitting Diodes
  作者：Na Rae Park、Gweon Young Ryu、Se Jin Moon、Ji Hoon Seo、Young Kwan Kim、Dong Myung Shin

  DOI：10.1080/15421406.2011.563651

  日期：2011.5.31

  A new yellow fluorescent material, (2Z)-3-[4,4 ''-bis(dimethylamino)-1,1':4',1 ''-terphenyl-2'-yl]-2-phenylacrylonitrile (BDAT-P), was synthesized for organic light-emitting diodes. This compound has an electron donor-acceptor group which leads to intramolecular charge transfer property.Optoelectronic properties of a device with the structure of ITO/NPB/MADN:BDAT-P (x %)/BPhen/Liq/Al were measured and the measurement demonstrated that the device using BDAT-P as a dopant revealed highly efficient device performance with greenish yellow electroluminescent emission. Maximum luminance of the device was measured to be 18300 (x = 8%), 10880 (x = 12%) and 11810 (x = 16%) cd/m(2), respectively. The maximum luminous and quantum efficiency values were observed to be 12.5 (x = 8%), 9.17 (x = 12%) and 12.79 (x = 16%) cd/A, and 3.83 (x = 8%), 2.8 (x = 12%) and 3.81 (x = 16%) %, respectively. The device emitted greenish yellow light corresponding to Commission Internationale de I'Eclairage (CIExy) coordinates of (0.319, 0.569) (x = 8%) and (0.321, 0.569) (x = 12%) and (0.356, 0.578) (x = 16%) at 10 V.
• The Effect of the Molecular Structure on the Optoelectronic Properties of a Fluorophore for Use in Organic Light-Emitting Diodes
  作者：Gweon Young Ryu、Na Rae Park、Dong Myung Shin

  DOI：10.1166/jnn.2012.5887

  日期：2012.5.1

  A novel yellow light-emitting material, (2Z)-3-[4,4″-bis(dimethylamino)-1,1′:4′,1″-terphenyl-2′-yl]-2- phenylacrylonitrile (BDAT-P), having the modified molecular structure from red fluorescent compound, (2Z, 2′Z)-3,3′-[4,4″-bis(dimethylamino)-1,1′:4′,1″-terphenyl-2′,5′-diyl]bis(2-phenylacrylonitrile) (ABCV-P), was synthesized in order to study the effect of the molecular structure on the optoelectronic properties of a light-emitting material. UV-visible absorption and photoluminescence (PL) emission peaks measured in various solvent systems were summarized in Table I. In the respective solvent system, the bathochromic shift of PL emission peak relative to the peak of UV-visible absorption was much larger for ABCV-P with two electron donor–acceptor pairs than for BDAT-P with one electron donor–acceptor pair. EL emission peaks of devices using BDAT-P and ABCV-P as the host emitters measured to be 573 and 613 nm, respectively. Commission Internationale de I'Eclairage (CIExy) coordinate of device using BDAT-P was measured to be (0.4855, 0.5021) at 7 V, which was correspond to the yellow color.

  一种新型黄光发光材料(2Z)-3-[4,4″-双(二甲氨基)-1,1′:4′,1″-三联苯-2′-基]-2-苯基丙烯腈(BDAT- P)，具有由红色荧光化合物(2Z,2'Z)-3,3'-[4,4”-双(二甲氨基)-1,1':4',1”-三联苯-改性的分子结构为了研究分子结构对发光材料光电性能的影响，合成了2',5'-二基]双(2-苯基丙烯腈) (ABCV-P)。表I总结了在不同溶剂系统中测得的紫外-可见吸收和光致发光（PL）发射峰。在各自的溶剂系统中，ABCV-PL发射峰相对于紫外-可见吸收峰的红移要大得多。 P 具有两个电子供体-受体对，而 BDAT-P 具有一个电子供体-受体对。使用 BDAT-P 和 ABCV-P 作为主体发射器的器件的 EL 发射峰值分别测量为 573 和 613 nm。使用 BDAT-P 的设备的国际委员会 (CIExy) 在 7 V 电压下的坐标测量结果为 (0.4855, 0.5021)，这对应于黄色。