(4E)-4-[[1-(2-cyclohexylethyl)-3-(3-cyclopenta-2,4-dien-1-ylpropyl)-3-methylindol-1-ium-2-yl]methylidene]-3-hydroxy-2-(1H-indol-3-yl)cyclobut-2-en-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (4E)-4-[[1-(2-cyclohexylethyl)-3-(3-cyclopenta-2,4-dien-1-ylpropyl)-3-methylindol-1-ium-2-yl]methylidene]-3-hydroxy-2-(1H-indol-3-yl)cyclobut-2-en-1-one
• 化学式: C38H41N2O2+
• 分子量: 557.7
• InChiKey: HWLFRKDIHUJFLF-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  56.1
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• Cyanine Compounds, Optical Filters, and Optical Recording Materials
  申请人：Aoyama Yohei

  公开号：US20080207918A1

  公开（公告）日：2008-08-28

  A cyanine compound represented by the general formula (I), (VI) or (VII): wherein ring-A 1 is an optionally substituted benzene or naphthalene ring; B is a group represented by the general formula (II) or (III); R 1 is a hydrogen atom, a halogen atom, an alkyl group having 1 to 8 carbon atoms, an alkoxy group having 1 to 8 carbon atoms, or an aryl group having 6 to 30 carbon atoms; R 2 is a substituent represented by the general formula (IV); and Y 1 is a hydrogen atom, an organic group having 1 to 30 carbon atoms, or a substituent represented by the general formula (IV): wherein ring-A 2 is the same as the ring-A 1 in the general formula (I); Y 4 and Y 5 each are independently the same as Y 1 in the general formula (I); X 2 is the same as X 1 in the general formula (I); R 10 is the same as R 1 in the general formula (I); R 11 is the same as R 2 in the general formula (I); R 23 and R 24 are the same as R 21 and R 22 in the formulas (II) and (III); n is an integer of 0 to 6; the polymethine chain may have a substituent; An q− is a q-valent anion; q is 1 or 2; and p is a factor keeping the neutrality of charge.

  一种青菁化合物，由通式(I)，(VI)或(VII)表示：其中环-A1是一个可选取代苯或萘环; B是由通式(II)或(III)表示的基团; R1是氢原子、卤素原子、具有1-8个碳原子的烷基、具有1-8个碳原子的烷氧基或具有6-30个碳原子的芳基; R2是由通式(IV)表示的取代基; Y1是氢原子、具有1-30个碳原子的有机基团或由通式(IV)表示的取代基:其中环-A2与通式(I)中的环-A1相同; Y4和Y5各自独立地与通式(I)中的Y1相同; X2与通式(I)中的X1相同; R10与通式(I)中的R1相同; R11与通式(I)中的R2相同; R23和R24与式(II)和(III)中的R21和R22相同; n为0-6之间的整数; 聚甲烯链可以有取代基; Anq-是q价阴离子; q为1或2; p是保持电中性的因子。
• CYANINE COMPOUNDS
  申请人：AOYAMA Yohei

  公开号：US20100204474A1

  公开（公告）日：2010-08-12

  A cyanine compound represented by the general formula (I), (VI) or (VII): wherein ring-A 1 is an optionally substituted benzene or naphthalene ring; B is a group represented by the general formula (II) or (III); R 1 is a hydrogen atom, a halogen atom, an alkyl group having 1 to 8 carbon atoms, an alkoxy group having 1 to 8 carbon atoms, or an aryl group having 6 to 30 carbon atoms; R 2 is a substituent represented by the general formula (IV); and Y 1 is a hydrogen atom, an organic group having 1 to 30 carbon atoms, or a substituent represented by the general formula (IV): wherein ring-A 2 is the same as the ring-A 1 in the general formula (I); Y 4 and Y 5 each are independently the same as Y 1 in the general formula (I); X 2 is the same as X 1 in the general formula (I); R 10 is the same as R 1 in the general formula (I); R 11 is the same as R 2 in the general formula (I); R 23 and R 24 are the same as R 21 and R 22 in the formulas (II) and (III); n is an integer of 0 to 6; the polymethine chain may have a substituent; An q- is a q-valent anion; q is 1 or 2; and p is a factor keeping the neutrality of charge.

  一种靛青化合物，由通式（I），（VI）或（VII）表示：其中环A1是可选取代的苯环或萘环；B是由通式（II）或（III）表示的基团；R1是氢原子，卤素原子，具有1至8个碳原子的烷基，具有1至8个碳原子的烷氧基，或具有6至30个碳原子的芳基；R2是由通式（IV）表示的取代基；Y1是氢原子，具有1至30个碳原子的有机基团，或由通式（IV）表示的取代基：其中环A2与通式（I）中的环A1相同；Y4和Y5各自独立地与通式（I）中的Y1相同；X2与通式（I）中的X1相同；R10与通式（I）中的R1相同；R11与通式（I）中的R2相同；R23和R24与式（II）和（III）中的R21和R22相同；n为0至6的整数；聚甲烯链可以有取代基；Anq-是q价阴离子；q为1或2；p是保持电荷中性的因子。
• US7745632B2
  申请人：——

  公开号：US7745632B2

  公开（公告）日：2010-06-29
• US8193366B2
  申请人：——

  公开号：US8193366B2

  公开（公告）日：2012-06-05