2-(1,3-dioxo-11-(2,4,4-trimethylpentan-2-yl)-8-(4-(2,4,4-trimethylpentan-2-yl)phenyl)-isoquinolino[6',5',4':10,5,6]anthra[2,1,9-mna]acridin-2(1H,3H,8H)-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-(1,3-dioxo-11-(2,4,4-trimethylpentan-2-yl)-8-(4-(2,4,4-trimethylpentan-2-yl)phenyl)-isoquinolino[6',5',4':10,5,6]anthra[2,1,9-mna]acridin-2(1H,3H,8H)-yl)acetic acid
• 英文别名: 2-[6,8-Dioxo-19-(2,4,4-trimethylpentan-2-yl)-23-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-7,23-diazaoctacyclo[14.10.2.22,5.03,12.04,9.013,27.017,22.024,28]triaconta-1(26),2(30),3(12),4(9),5(29),10,13(27),14,16(28),17(22),18,20,24-tridecaen-7-yl]acetic acid；2-[6,8-dioxo-19-(2,4,4-trimethylpentan-2-yl)-23-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-7,23-diazaoctacyclo[14.10.2.22,5.03,12.04,9.013,27.017,22.024,28]triaconta-1(26),2(30),3(12),4(9),5(29),10,13(27),14,16(28),17(22),18,20,24-tridecaen-7-yl]acetic acid
• 化学式: C₅₂H₅₂N₂O₄
• 分子量: 768.996
• InChiKey: LQGUYDQTJIGJBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  58
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  双(4-(2,4,4-三甲基-2-戊基)苯基)胺 在 咪唑 、 palladium diacetate 、 potassium hydroxide 、 sodium t-butanolate 、 三环己基膦 作用下， 以 乙二醇 、 甲苯 为溶剂， 反应 32.0h， 生成 2-(1,3-dioxo-11-(2,4,4-trimethylpentan-2-yl)-8-(4-(2,4,4-trimethylpentan-2-yl)phenyl)-isoquinolino[6',5',4':10,5,6]anthra[2,1,9-mna]acridin-2(1H,3H,8H)-yl)acetic acid
  参考文献：
  名称：

  PERYLENEMONOIMIDE AND NAPHTHALENEMONOIMIDE DERIVATIVES AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS

  摘要：

  本发明涉及在染料敏化太阳能电池中使用化合物I的公式：。它还涉及到公式I'的化合物：到公式I''的化合物：到公式II的化合物的使用：作为制造公式I的前体化合物当q为0或1时，以及作为制造公式I'的前体化合物当q为1时；到公式III的化合物：到在染料敏化太阳能电池中使用公式I、I'或I''的化合物作为敏化剂；以及这种染料敏化太阳能电池。

  公开号：

  US20160024106A1

文献信息

• US9428518B2
  申请人：——

  公开号：US9428518B2

  公开（公告）日：2016-08-30
• [EN] PERYLENEMONOIMIDE AND NAPHTHALENEMONOIMIDE DERIVATIVES AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS<br/>[FR] DÉRIVÉS DE PÉRYLÈNEMONOIMIDE ET DE NAPHTALÈNEMONOIMIDE ET LEUR UTILISATION DANS DES PHOTOPILES SENSIBILISÉES PAR COLORANT
  申请人：BASF SE

  公开号：WO2014147525A2

  公开（公告）日：2014-09-25

  The present invention relates to the use of compounds of general formula (I) wherein the variables have the meaning given in the description in dye-sensitized solar cells; to compounds of general formula (I') wherein the variables have the meaning given in the description; to compounds of general formula (I") wherein the variables have the meaning given in the description; to the use of compounds of general formula (II) in the case of q equal to 0 or 1 : as precursor compounds for the manufacture of compounds of general formula (I) and in the case of q equal to 1 : as precursor compounds for the manufacture of compounds of general formula (I') wherein the remaining variables have the meaning given in the description; to compounds of general formula (III) wherein the variables have the meaning given in the description; to the use of compounds of general formulae (I), (I') or (I") as sensitizers in dye-sensitized solar cells; and to such dye-sensitized solar cells per se.
• PERYLENEMONOIMIDE AND NAPHTHALENEMONOIMIDE DERIVATIVES AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS
  申请人：BASF SE

  公开号：US20160024106A1

  公开（公告）日：2016-01-28

  The present invention relates to the use of a compound of formula I: in dye-sensitized solar cells. It also relates to a compound of formula I′: to a compound of formula I″: to the use of a compound of formula II: as a precursor compound for manufacturing the compound of formula I when q is 0 or 1 and as a precursor compound for manufacturing the compound of formula I′ when q is 1; to a compound of formula III: to the use of the compounds of formulae I, I′ or I″ as sensitizers in dye-sensitized solar cells; and to such dye-sensitized solar cells.

  本发明涉及在染料敏化太阳能电池中使用化合物I的公式：。它还涉及到公式I'的化合物：到公式I''的化合物：到公式II的化合物的使用：作为制造公式I的前体化合物当q为0或1时，以及作为制造公式I'的前体化合物当q为1时；到公式III的化合物：到在染料敏化太阳能电池中使用公式I、I'或I''的化合物作为敏化剂；以及这种染料敏化太阳能电池。