2,9-bis(2,6-diisopropylphenyl)-5,6,12,13-tetrakis(3-methoxyphenoxy)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone | 951208-58-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2,9-bis(2,6-diisopropylphenyl)-5,6,12,13-tetrakis(3-methoxyphenoxy)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
• 英文别名: N,N'-di(2,6-diisopropylphenyl)-1,6,7,12-tetra(3-methoxyphenoxy)perylene-3,4:9,10-tetracarboxylic acid bisimide；7,18-Bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetrakis(3-methoxyphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone；7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetrakis(3-methoxyphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
• CAS: 951208-58-5
• 化学式: C₇₆H₆₆N₂O₁₂
• 分子量: 1199.37
• InChiKey: DVPDAYZFNKVELN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.3
• 重原子数：
  90
• 可旋转键数：
  18
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  149
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2,9-bis(2,6-diisopropylphenyl)-5,6,12,13-tetrakis(3-methoxyphenoxy)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 4.5h， 以94%的产率得到N,N'-bis(2,6-diisopropylphenyl)-1,6,7,12-tetra(3-hydroxyphenoxy)-perylene-3,4:9,10-tetracarboxylic acid bisimide
  参考文献：
  名称：

  DABCO介导的卟啉-Per双酰亚胺锌单分散多发色纳米粒子的自组装

  摘要：

  排队！紫外/可见光和NMR光谱法和原子力显微镜研究显示，四倍的卟啉锌官能化的bi双酰亚胺已通过对位配体DABCO分子内桥接锌卟啉单元，通过分子内界面桥接锌卟啉提供了定义明确的超分子颗粒。

  DOI：

  10.1002/chem.200902944
• 作为产物：
  描述：

  4-叔丁基苯酚 、 染料红620 在 potassium carbonate 作用下， 以85%的产率得到2,9-bis(2,6-diisopropylphenyl)-5,6,12,13-tetrakis(3-methoxyphenoxy)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
  参考文献：
  名称：

  Exploration of highly efficient light conversion agents for agricultural film based on the bay-substituted perylene diimides derivatives

  摘要：

  To explore highly efficient yellow-green light conversion agents used for agricultural film, six bay-substituted perylene diimides and their polyvinyl chloride doped films (by 0.5% weight addition) were prepared. The maximum absorption and emission peaks of the luminogens-doped polyvinyl chloride films are located at 581-609 nm and 647-667 nm, respectively. More importantly, the fluorescence quantum yields of PTCDA, t-BuOPTCDA and m-MeOPTCDA are up to 0.88, 0.84 and 0.78 in doping film, respectively. The strengthening solar radiation and outdoor exposure to sunlight last 160 min and two months respectively and the emission intensity of m-MeOPTCDA-doped film displays slight changes and 9% fluctuation in turn. Combined transmittance, compatibility, mechanical properties and thermal stability, m-MeOPTCDA is chosen as the best effective light conversion materials. To better understand the optical properties of the luminogens, molecular configuration optimization, electron cloud density distribution and molecular orbital energy levels were completed by theoretical calculation. Further, the double layer coextrusion film containing m-MeOPTCDA and Triphenyl acrylonitrile is succeed in dual band excitation(350 nm and 580 nm)and emission (430 nm and 651 nm), by optimizing the proportion of m-MeOPTCDA and Triphenyl acrylonitrile, the special light conversion films for different crops will be expected.

  DOI：

  10.1016/j.dyepig.2018.07.015