4,5:4’,5’-二苯并-1,1’-二丁基-3,3,3’,3’-四甲基吲哚二碳菁高氯酸盐 | 121482-73-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 吲哚类化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4,5:4’,5’-二苯并-1,1’-二丁基-3,3,3’,3’-四甲基吲哚二碳菁高氯酸盐
• 英文名称: 3-Butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2h-benzo[e]indol-2-ylidene)-penta-1,3-dienyl]-1,1-dimethyl-1h-benzo[e]indolium perchlorate
• 英文别名: 3-butyl-2-[5-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indole;perchlorate
• CAS: 121482-73-3
• 化学式: C41H47ClN2O4
• 分子量: 667.3
• InChiKey: SKOOGHDIKOAMMA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.01
• 重原子数：
  48
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  80.5
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Analytical method using surface enhanced Raman spectroscopy and composition for the method
  申请人：JOHNSON MATTHEY PUBLIC LIMITED COMPANY

  公开号：US10365223B2

  公开（公告）日：2019-07-30

  An identification method, for determining whether a sample of an unknown composition is a sample of a known composition to which a known amount of a SERS-active taggant compound has been added, includes the steps of: obtaining a sample of the unknown composition; adding to the composition a plurality of SERS particles to form a mixture, each SERS particle including:—a core including a nanoparticle having a plasmonic surface,—a SERS-active internal standard compound adjacent the plasmonic surface and,—a shell, the shell encapsulating the core and the SERS-active internal standard compound; obtaining a SERS spectrum from the mixture; and comparing the SERS response ratio SATC:SAISC from the SERS spectral response of the SERS-active taggant compound and the SERS spectral response of the SERS-active internal standard compound in the unknown composition with the SERS response ratio SATC:SAISC from the known composition.

  一种用于确定未知组合物样品是否为已知组合物样品的鉴定方法，其中已知量的SERS活性标记化合物已被添加到该组合物中，该方法包括以下步骤：获取未知组合物样品；向该组合物中添加多个SERS颗粒以形成混合物，每个SERS颗粒包括：-核心，包括具有等离子体表面的纳米颗粒；-邻近等离子体表面的SERS活性内部标准化合物；-外壳，外壳封装核心和SERS活性内部标准化合物：-核心，包括具有质子表面的纳米粒子，邻近质子表面的 SERS 活性内标化合物，以及外壳，外壳封装核心和 SERS 活性内标化合物；从混合物中获取 SERS 光谱；比较 SERS 响应比 SATC、SAISC 和 SERS 光谱：将未知组合物中 SERS 活性标记化合物的 SERS 光谱响应和 SERS 活性内标化合物的 SERS 光谱响应的 SERS 响应比 SATC:SAISC 与已知组合物的 SERS 响应比 SATC:SAISC 进行比较。
• ANALYTICAL METHOD USING SURFACE ENHANCED RAMAN SPECTROSCOPY
  申请人：Johnson Matthey Public Limited Company

  公开号：EP3207360B1

  公开（公告）日：2018-12-12
• ANALYTICAL METHOD USING SURFACE ENHANCED RAMAN SPECTROSCOPY AND COMPOSITION FOR THE METHOD
  申请人：JOHNSON MATTHEY PUBLIC LIMITED COMPANY

  公开号：US20170307531A1

  公开（公告）日：2017-10-26

  An identification method, for determining whether a sample of an unknown composition is a sample of a known composition to which a known amount of a SERS-active taggant compound has been added, includes the steps of: obtaining a sample of the unknown composition; adding to the composition a plurality of SERS particles to form a mixture, each SERS particle including:—a core including a nanoparticle having a plasmonic surface,—a SERS-active internal standard compound adjacent the plasmonic surface and,—a shell, the shell encapsulating the core and the SERS-active internal standard compound; obtaining a SERS spectrum from the mixture; and comparing the SERS response ratio SATC:SAISC from the SERS spectral response of the SERS-active taggant compound and the SERS spectral response of the SERS-active internal standard compound in the unknown composition with the SERS response ratio SATC:SAISC from the known composition.