2-[2-[(3E)-3-[(1-ethylquinolin-1-ium-2-yl)methylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethylindol-1-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-[2-[(3E)-3-[(1-ethylquinolin-1-ium-2-yl)methylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2,3,3-trimethylindol-1-yl]acetic acid
• 化学式: C29H29N2O4+
• 分子量: 469.5
• InChiKey: YNZKLCGIJYVWLF-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  81.7
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE
  申请人：Fuhrmann Gerda

  公开号：US20100212737A1

  公开（公告）日：2010-08-26

  A dye including an anchoring group in its molecular structure, said anchoring group allowing a covalent coupling of said dye to a surface, for example a surface of a nanoporous semiconductor layer, said anchoring group being represented by formula 1 wherein attachment of said anchoring group within said molecular structure of said dye is at the terminal carbon marked with an asterisk in above formula, wherein G is selected from —COOH, —SO3H, —PO3H2, —BO2H2, —SH, —OH, —NH2, preferably —COOH, wherein A is selected from the group comprising H, —CN, —NO2, —COOR, —COSR, —COR, —CSR, —NCS, —CF3, —CONR2-OCF3, C6H5-mFm, wherein m=1-5, R being H or any straight or branched alkyl chain of general formula —CnH2 n +I, n=O-12, preferably 0-4, or any substituted or non-substituted phenyl or biphenyl.

  一种染料，其分子结构中包括一个锚定基团，该锚定基团允许将该染料共价耦合到表面，例如纳米多孔半导体层的表面。该锚定基团由公式1表示，其中上述公式中带星号的末端碳上的锚定基团连接在该染料的分子结构内。其中G从—COOH，—SO3H，—PO3H2，—BO2H2，—SH，—OH，—NH2中选择，优选为—COOH。其中A从H，—CN，—NO2，—COOR，—COSR，—COR，—CSR，—NCS，—CF3，—CONR2-O ，C6H5-mFm中选择，其中m=1-5，R为H或一般式—CnH2n+I的任何直链或支链烷基链，n=0-12，优选为0-4，或任何取代或未取代的苯基或联苯基。
• A dye including an anchoring group in its molecular structure
  申请人：Sony Corporation

  公开号：EP2112671A1

  公开（公告）日：2009-10-28

  The present invention relates to a dye including an anchoring group in its structure, to a method of synthesis of such dye, to an electronic device comprising such dye, and to uses of such dye.

  本发明涉及一种在其结构中包含锚定基团的染料、这种染料的合成方法、包含这种染料的电子设备以及这种染料的用途。