5-Phenothiazin-10-yl-12,20-bis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-16-oxahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2(23),3,5,7,9,11,13,18,21-decaene-15,17-dione | 937041-20-8

• 分子结构分类: 有机化合物
• 英文名称: 5-Phenothiazin-10-yl-12,20-bis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-16-oxahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2(23),3,5,7,9,11,13,18,21-decaene-15,17-dione
• CAS: 937041-20-8
• 化学式: C₆₂H₅₇NO₅S
• 分子量: 928.204
• InChiKey: GHKIBVVIMUZYEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.4
• 重原子数：
  69
• 可旋转键数：
  11
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  90.4
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Use of Rylene Derivatives as Photosensitizers in Solar Cells
  申请人：Pschirer Neil Gregory

  公开号：US20080269482A1

  公开（公告）日：2008-10-30

  Use of rylene derivatives I with the following definition of the variables: X together both —COOM; Y a radical -L-NR 1 R 2 (y1) -L-Z-R 3 (y2) the other radical hydrogen; together both hydrogen; R is optionally substituted (het)aryloxy, (het)arylthio; P is —NR 1 R 2 ; B is alkylene; optionally substituted phenylene; combinations thereof; A is —COOM; —SO 3 M; —PO 3 M 2 ; D is optionally substituted phenylene, naphthylene, pyridylene; M is hydrogen; alkali metal cation; [NR 5 ] 4 + ; L is a chemical bond; optionally indirectly bonded, optionally substituted (het)arylene radical; R 1 , R 2 are optionally substituted (cyclo)alkyl, (het)aryl; together optionally substituted ring comprising the nitrogen atom; Z is —O—; —S—; R 3 is optionally substituted alkyl, (het)aryl; R′ is hydrogen; optionally substituted (cyclo)alkyl, (het)aryl; R 5 is hydrogen; optionally substituted alkyl (het)aryl; m is 0, 1, 2; n, p m=0: 0, 2, 4 where: n+p=2, 4, if appropriate 0; m=1: 0, 2, 4 where: n+p=0, 2, 4; m=2: 0, 4, 6 where: n+p=0, 4, 6, or of mixtures thereof as photosensitizers in solar cells.

  使用以下变量定义的莱伦衍生物I的用途： X一起 两者都是-COOM; Y是一个基团 -L-NR 1 R 2 (y1) -L-Z-R 3 (y2) 另一个基团是氢; 一起 两者都是氢; R可选择地被取代为(het)芳氧基，(het)芳基硫基; P是-NR 1 R 2 ; B是烷基; 可选择地被取代的苯基; 它们的组合; A是-COOM; -SO 3 M; -PO 3 M 2 ; D可选择地被取代为苯基，萘基，吡啶基; M是氢; 碱金属阳离子; [NR 5 ] 4 + ; L是化学键; 可选择地间接键合，可选择地被取代的(het)芳基基团; R 1 ，R 2 可选择地被取代的(环)烷基，(het)芳基; 一起可选择地被取代的环，其中包括氮原子; Z是-O-; -S-; R 3 可选择地被取代的烷基，(het)芳基; R′是氢; 可选择地被取代的(环)烷基，(het)芳基; R 5 是氢; 可选择地被取代的烷基(het)芳基; m为0, 1, 2; n, p, m=0: 0, 2, 4其中：n+p=2, 4，如果适用为0; m=1: 0, 2, 4其中：n+p=0, 2, 4; m=2: 0, 4, 6其中：n+p=0, 4, 6， 或者作为太阳能电池中的光敏剂的混合物。
• USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS
  申请人：PSCHIRER Neil Gregory

  公开号：US20120283432A1

  公开（公告）日：2012-11-08

  Use of rylene derivatives I with the following definition of the variables: X together both —COOM; Y a radical -L-NR 1 R 2 (y1) -L-Z—R 3 (y2) the other radical hydrogen; together both hydrogen; R is optionally substituted (het)aryloxy, (het)arylthio; P is —NR 1 R 2 ; B is alkylene; optionally substituted phenylene; combinations thereof; A is —COOM; —SO 3 M; —PO 3 M 2 ; D is optionally substituted phenylene, naphthylene, pyridylene; M is hydrogen; alkali metal cation; [NR 5 ] 4 + ; L is a chemical bond; optionally indirectly bonded, optionally substituted (het)arylene radical; R 1 , R 2 are optionally substituted (cyclo)alkyl, (het)aryl; together optionally substituted ring comprising the nitrogen atom; Z is —O—; —S—; R 3 is optionally substituted alkyl, (het)aryl; R′ is hydrogen; optionally substituted (cyclo)alkyl, (het)aryl; R 5 is hydrogen; optionally substituted alkyl (het)aryl; m is 0, 1, 2; n, p m=0: 0, 2, 4 where: n+p=2, 4, if appropriate 0; m=1: 0, 2, 4 where: n+p=0, 2, 4; m=2: 0, 4, 6 where: n+p=0, 4, 6, or of mixtures thereof as photosensitizers in solar cells.
• US8231809B2
  申请人：——

  公开号：US8231809B2

  公开（公告）日：2012-07-31
• US8501046B2
  申请人：——

  公开号：US8501046B2

  公开（公告）日：2013-08-06
• [DE] VERWENDUNG VON RYLENDERIVATEN ALS PHOTOSENSIBILISATOREN IN SOLARZELLEN<br/>[EN] USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS<br/>[FR] UTILISATION DE DERIVES DE RYLENE EN TANT QUE PHOTOSENSIBILISATEURS DANS DES CELLULES SOLAIRES
  申请人：BASF AG

  公开号：WO2007054470A1

  公开（公告）日：2007-05-18

  [EN] Use of rylene derivatives (I) in which the variables are defined as follows: X together Formulae (x1) (x2) (x3) both -COOM; Y a radical -L-NR¹R² (y1) -L- Z-R³ (y2) the other radical hydrogen; together Formulae (y3) (y4) both hydrogen; R optionally substituted (Het)aryloxy, (Het)arylthio; P -NR¹R²; B alkylene; optionally substituted phenylene; combinations thereof; A -COOM; -SO₃M; -PO₃M₂; D optionally substituted phenylene, naphthylene, pyridylene; M hydrogen; alkali metal cation; [NR⁵]₄ ⁺;
  [FR] L'invention concerne l'utilisation de dérivés de rylène (I), les variables ayant les significations suivantes : X et les formules (x1) (x2) (x3) représentent tous les deux -COOM ; Y un radical -L-NR¹R² (y1) -L- Z-R³ (y2) l'autre radical étant l'hydrogène; les formules (y3) (y4) représentent tous les deux l'hydrogène ; R un (het)aryloxy ou (het)arylthio éventuellement substitué ; P un groupement -NR¹R² ; B un alkylène ; un phénylène éventuellement substitué ; leurs mélanges ; A un groupement -COOM ; -SO₃M ; -PO₃M₂ ; D un phénylène, naphthylène, ou pyridylène éventuellement substitué ; M l'hydrogène ; un cation de métal alcalin ; [NR⁵]₄ ⁺;
  [DE] Verwendung von Rylenderivaten (I), mit folgender Bedeutung der Variablen: X zusammen Formel (x1) (x2) (x3) beide -COOM; Y ein Rest -L-NR¹R² (y1) -L- Z-R³ (y2) der andere Rest Wasserstoff; zusammen Formel (y3) (y4) beide Wasserstoff; R gegebenenfalls substituiertes (Het)Aryloxy, (Het)Arylthio; P -NR¹R²; B Alkylen; gegebenenfalls substituiertes Phenylen; Kombinationen davon; A -COOM; -SO₃M; -PO₃M₂; D gegebenenfalls substituiertes Phenylen, Naphthylen, Pyridylen; M Wasserstoff; Alkalimetallkation; [NR⁵]₄ ⁺;