6-[4-Hydroxy-3-[[3-[[2-hydroxy-5-[2-(2-methylpropyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]phenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenyl]-2-(2-methylpropyl)benzo[de]isoquinoline-1,3-dione | 1236223-55-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 6-[4-Hydroxy-3-[[3-[[2-hydroxy-5-[2-(2-methylpropyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]phenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenyl]-2-(2-methylpropyl)benzo[de]isoquinoline-1,3-dione
• CAS: 1236223-55-4
• 化学式: C₅₁H₄₈N₄O₆
• 分子量: 812.965
• InChiKey: SVWFULDNQRTTAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  61
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  二甲基丙二胺 、 2-hydroxy-5-(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)benzaldehyde 以 乙醇 、 二氯甲烷 为溶剂， 生成 6-[4-Hydroxy-3-[[3-[[2-hydroxy-5-[2-(2-methylpropyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]phenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenyl]-2-(2-methylpropyl)benzo[de]isoquinoline-1,3-dione
  参考文献：
  名称：

  Metal-Interrupted Perylene Diimide: Toward a New Class of Tunable n-Type Inorganic−Organic Hybrid Semiconductors

  摘要：

  In organic thin-film transistors (OTFTs), organic electron-transport materials (n-type semiconductors) are well behind the advances in development of hole-transport materials (p-type semiconductors). Currently, one class of organic n-type semiconductor materials that is widely utilized is N,N'-dialkyl-3,4,9,10-perylenetetracarboxylic diimide (PTCDI-R) derivatives with high electron affinities (EAs), such as N,N'-dioctyl-3,4,9,10-perylenetetracarboxylic diimide with a reported EA as high as 4.4 eV. The PTCDI-R derivatives have been manipulated by adding substituents on the perylene moiety or at the amine position to afford more stable compounds and higher EAs. On the basis of these materials, we have developed metal-containing perylenediimide analogues, placing a salpen ligand for metal ion chelation between two n-isobutylnaphthalimides. We demonstrate here that the electronic properties of this class of materials can be systematically tuned in a divergent manner by simply changing the metal center. The synthesis, characterization, electrochemistry, and band-gap analysis are discussed herein.

  DOI：

  10.1021/ic100785r