2-[6-[5-[5-[4-[Bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thiophen-2-yl]thiophen-2-yl]-1,3-dioxobenzo[de]isoquinolin-2-yl]acetic acid | 1383782-63-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-[6-[5-[5-[4-[Bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thiophen-2-yl]thiophen-2-yl]-1,3-dioxobenzo[de]isoquinolin-2-yl]acetic acid
• CAS: 1383782-63-5
• 化学式: C₅₈H₄₂N₂O₄S₂
• 分子量: 895.114
• InChiKey: UZTLLRLJIPMHPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  66
• 可旋转键数：
  8
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  134
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 2-(6-(5'-(4-(bis(9,9-dimethyl-9H-fluoren-2-yl)amino)phenyl)-[2,2'-bithiophen]-5-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate 在 potassium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 生成 2-[6-[5-[5-[4-[Bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thiophen-2-yl]thiophen-2-yl]-1,3-dioxobenzo[de]isoquinolin-2-yl]acetic acid
  参考文献：
  名称：

  NAPHTHALENE MONOIMIDE DERIVATIVES AND USE THEREOF AS PHOTOSENSITIZERS IN SOLAR CELLS AND PHOTODETECTORS

  摘要：

  本发明涉及公式Ia和Ib的化合物，其中变量R、n、A、B、R1和R2在描述中各自定义。本发明还涉及将公式Ia或Ib或公式Ia和Ib的混合物和/或公式Ia和Ib的异构体或异构体混合物用作太阳能电池和光电探测器中的光敏剂，以及包含这些公式Ia或Ib的化合物或公式Ia和Ib的混合物和/或公式Ia和Ib的异构体或异构体混合物作为光敏剂的太阳能电池和光电探测器。

  公开号：

  US20120165530A1

文献信息

• NAPTHALINMONOIMIDDERIVATE UND DEREN VERWENDUNG ALS PHOTOSENSIBILISATOREN IN SOLARZELLEN UND PHOTODETEKTOREN
  申请人：BASF SE

  公开号：EP2655366B1

  公开（公告）日：2015-08-19
• US9054325B2
  申请人：——

  公开号：US9054325B2

  公开（公告）日：2015-06-09
• [DE] NAPTHALINMONOIMIDDERIVATE UND DEREN VERWENDUNG ALS PHOTOSENSIBILISATOREN IN SOLARZELLEN UND PHOTODETEKTOREN<br/>[EN] NAPHTALENE MONOIMIDE DERIVATIVES AND USE THEREOF AS PHOTOSENSITIZERS IN SOLAR CELLS AND PHOTODETECTORS<br/>[FR] DÉRIVÉS DE MONOIMIDE DE NAPHTALÈNE ET LEUR UTILISATION COMME PHOTOSENSIBILISATEURS DANS DES CELLULES SOLAIRES ET PHOTODÉTECTEURS
  申请人：BASF SE

  公开号：WO2012085803A1

  公开（公告）日：2012-06-28

  Die vorliegende Erfindung betrifft Verbindungen der Formeln (Ia) und (Ib), worin die Variablen R, n, A, B, R1 und R2 die in der Beschreibung aufgeführten Bedeutungen besitzen. Weiter betrifft die vorliegende Erfindung die Verwendung von Verbindungen der Formeln (Ia) oder (Ib) oder Mischungen von Verbindungen der Formeln (Ia) und (Ib) und/oder Isomere oder Mischungen der Isomere der Verbindungen der Formeln Ia und Ib als Photosensibilisatoren in Solarzellen und Photodetektoren. Solarzellen und Photodetektoren, welche solche Verbindungen der Formeln (Ia) oder (Ib) oder Mischungen von Verbindungen der Formeln (Ia) und (Ib) und/oder Isomere oder Mischungen der Isomere der Verbindungen der Formeln (Ia) und (Ib) als Photosensibilisatoren enthalten werden ebenfalls vorgeschlagen.
• [EN] RYLENE MONOIMIDE DERIVATES AND USE THEREOF AS PHOTOSENTIZERS IN SOLAR CELLS AND PHOTODETECTORS<br/>[FR] DÉRIVÉS DE MONOIMIDE D'ARYLÈNE ET LEUR UTILISATION À TITRE DE PHOTOSENSIBILISATEURS DANS DES CELLULES SOLAIRES ET DE PHOTODÉTECTEURS
  申请人：BASF SE

  公开号：WO2013118068A1

  公开（公告）日：2013-08-15

  The present invention relates to compounds of the formulae Ia,Ib and Ic in which R are identical or different aryloxy, arylthio, hetaryloxy, hetarylthio, aryl, diarylamino or dialkylamino radicals, n when m is 0: 0, 1, 2 or 3, when m is 1: 0, 1, 2, 3, 4 or 5, m is 0 or 1, A is -COOM, -SO3M or -PO3M, M is hydrogen, an alkali metal cation or [NR']4+, R' is hydrogen or alkyl, where the R' radicals may be the same or different, B is C1-C6-alkylene or 1,4-phenylene, where the phenylene radical may be 2 mono-or polysubstituted by alkyl, nitro, cyano and/or halogen, L is a chemical single bond or a bridge of the formula -(Het)Ar-or –(Het)Ar-(Het)Ar- which may be mono-or polysubstituted by phenyl, alkyl, alkoxy, alkylthio and/or -NR4R5 and in which (Het)Ar is aryl or hetaryl which may be fused to saturated or unsaturated 5-to 18-membered rings which maycomprise heteroatoms, where, in the case of two (Het)Ar, these may be the same or different, q is 0 or 1, R1, R2 are each independently radicals of the formula IIa, IIb or IIc R3 is phenyl, alkyl, alkoxy, alkylthio or -NR6R7, X is C(R8R9)2, NR10, oxygen or sulfur, R4 to R10 are each independently hydrogen, alkyl whose carbon chain may be interrupted by one or more -O-, -S-, -CO-, -SO- and/or -SO2 -moieties, or aryl or hetaryl, each of which may be mono-or polysubstituted by alkyl, alkoxy and/or alkylthio, p is 0, 1, 2, 3, 4 or 5, Y is NR11 or sulfur, and R11 is hydrogen, alkyl whose carbon chain may be interrupted by one or more -O-, -S-, -CO-, -SO- and/or -SO2 -moieties, or aryl, hetaryl, aralkyl or hetaralkyl. The present invention further relates to the use of compounds of the formulae Ia, Ib and Ic or mixtures of compounds of the formulae Ia, Ib and Icand/or isomers thereof or mixtures of isomers of the compounds of the formulae Ia, Ib and Ic as photosensitizers in solar cells and photodetectors, and to solar cells and photodetectors comprising compounds of the formulae Ia, Ib and Ic or mixtures of compounds of the formulae Ia, Ib and Ic and/or isomers thereof or mixtures of isomers of the compounds of the formulae Ia, Ib and Ic as photosensitizers.