8,9,11,12-tetrahydro-3,17-disulphonato-20,20,22,22-tetramethyl-9aH,10aH-bisbenz[e]indolinium[3,2-a;3',2'-a]pyrano[3,2-c;5,6-c']dipyridin-7-ium

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 8,9,11,12-tetrahydro-3,17-disulphonato-20,20,22,22-tetramethyl-9aH,10aH-bisbenz[e]indolinium[3,2-a;3',2'-a]pyrano[3,2-c;5,6-c']dipyridin-7-ium
• 英文别名: 5,5,35,35-Tetramethyl-20-oxa-24-aza-16-azonianonacyclo[19.15.0.03,19.04,16.06,15.07,12.024,36.025,34.028,33]hexatriaconta-1(36),2,4(16),6(15),7(12),8,10,13,25(34),26,28(33),29,31-tridecaene-10,30-disulfonic acid
• 化学式: C₃₇H₃₅N₂O₇S₂
• 分子量: 683.826
• InChiKey: HNORYQDYVINAAU-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  48
• 可旋转键数：
  2
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6,6'-disulphonato-1,1'-di-(3,3-diethoxypropyl)-benz[e]indo-carbocyanine 在 硫酸 作用下， 以 氯仿 、 水 为溶剂， 生成 8,9,11,12-tetrahydro-3,17-disulphonato-20,20,22,22-tetramethyl-9aH,10aH-bisbenz[e]indolinium[3,2-a;3',2'-a]pyrano[3,2-c;5,6-c']dipyridin-7-ium
  参考文献：
  名称：

  Rigidized trimethine cyanine dyes

  摘要：

  揭示了对目标材料赋予荧光特性有用的三亚甲基青霉素染料的类似物，通过共价和非共价结合。这些化合物具有以下一般公式：1可选地由基团R2-R9取代其中基团R6、R7、R8和R9附着在含有X和Y的环上，或者可选地附着在Za和Zb结构的原子上，基团R1-R9被选择以为荧光化合物提供所需的溶解性、反应性和光谱特性；A从O、S和NR11中选择，其中R11是取代氨基自由基：2其中R′从氢、C1-4烷基和芳基中选择，R″从C1-18烷基、芳基、杂环芳基、具有2-7个碳原子的酰基自由基和硫代氨基自由基中选择；Za和Zb各自代表一个键或完成一个、两个融合或三个融合的芳香环所需的原子，每个环有五个或六个原子，选自碳原子，并且可选地不超过两个氧、氮和硫原子。

  公开号：

  US20030224391A1

文献信息

• RIGIDIZED TRIMETHINE CYANINE DYES
  申请人：Waggoner S. Alan

  公开号：US20070243527A9

  公开（公告）日：2007-10-18

  Disclosed are analogues of trimethine cyanine dyes which are useful for imparting fluorescent properties to target materials by covalent and non-covalent association. The compounds have the following general formula: optionally substituted by groups R 2 -R 9 wherein groups R 6 , R 7 , R 8 and R 9 are attached to the rings containing X and Y or, optionally are attached to atoms of the Z a and Z b ring structures and groups R 1 -R 9 are chosen to provide desired solubility, reactivity and spectral properties to the fluorescent compounds; A is selected from O, S and NR 11 where R 11 is the substituted amino radical: where R′ is selected from hydrogen, a C 1-4 alkyl and aryl and R″ is selected from C 1-18 alkyl, aryl, heteroaryl, an acyl radical having from 2 - 7 carbon atoms, and a thiocarbamoyl radical; Z a and Z b each represent a bond or the atoms necessary to complete one, two fused or three fused aromatic rings each ring having five or six atoms, selected from carbon atoms and, optionally, no more than two oxygen, nitrogen and sulphur atoms.

  本发明涉及三甲基靛氰染料的类似物，可通过共价和非共价结合用于赋予目标材料荧光性质。该化合物具有以下一般式：其中，基团R1-R9是为了提供所需的溶解度、反应性和光谱性质而选择的，可选择性地被基团R2-R9取代；A选自O、S和NR11，其中R11是取代氨基基团：其中，R′选自氢、C1-4烷基和芳基，R″选自C1-18烷基、芳基、杂芳基、具有2-7个碳原子的酰基基团和硫代氨基基团；Za和Zb分别表示键或完成一个、两个或三个融合的芳香环所需的原子，每个环都有五个或六个原子，选自碳原子，并且可选择性地包含不超过两个氧、氮和硫原子。
• US7408062B2
  申请人：——

  公开号：US7408062B2

  公开（公告）日：2008-08-05
• US7964361B2
  申请人：——

  公开号：US7964361B2

  公开（公告）日：2011-06-21
• Rigidized trimethine cyanine dyes
  申请人：Carnegie Mellon University

  公开号：US20030224391A1

  公开（公告）日：2003-12-04

  Disclosed are analogues of trimethine cyanine dyes which are useful for imparting fluorescent properties to target materials by covalent and non-covalent association. The compounds have the following general formula: 1 optionally substituted by groups R 2 -R 9 wherein groups R 6 , R 7 , R 8 and R 9 are attached to the rings containing X and Y or, optionally are attached to atoms of the Z a and Z b ring structures and groups R 1 -R 9 are chosen to provide desired solubility, reactivity and spectral properties to the fluorescent compounds; A is selected from O, S and NR 11 where R 11 is the substituted amino radical: 2 where R′ is selected from hydrogen, a C 1-4 alkyl and aryl and R″ is selected from C 1-18 alkyl, aryl, heteroaryl, an acyl radical having from 2 - 7 carbon atoms, and a thiocarbamoyl radical; Z a and Z b each represent a bond or the atoms necessary to complete one, two fused or three fused aromatic rings each ring having five or six atoms, selected from carbon atoms and, optionally, no more than two oxygen, nitrogen and sulphur atoms.

  揭示了对目标材料赋予荧光特性有用的三亚甲基青霉素染料的类似物，通过共价和非共价结合。这些化合物具有以下一般公式：1可选地由基团R2-R9取代其中基团R6、R7、R8和R9附着在含有X和Y的环上，或者可选地附着在Za和Zb结构的原子上，基团R1-R9被选择以为荧光化合物提供所需的溶解性、反应性和光谱特性；A从O、S和NR11中选择，其中R11是取代氨基自由基：2其中R′从氢、C1-4烷基和芳基中选择，R″从C1-18烷基、芳基、杂环芳基、具有2-7个碳原子的酰基自由基和硫代氨基自由基中选择；Za和Zb各自代表一个键或完成一个、两个融合或三个融合的芳香环所需的原子，每个环有五个或六个原子，选自碳原子，并且可选地不超过两个氧、氮和硫原子。