5,24-Dichloro-2,8,21,27-tetraoxa-4,6,23,25,37,38-hexazaheptacyclo[26.5.3.13,7.122,26.09,14.015,20.031,35]octatriaconta-1(34),3(38),4,6,9,11,13,15,17,19,22,24,26(37),28(36),29,31(35),32-heptadecaene | 1448898-15-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5,24-Dichloro-2,8,21,27-tetraoxa-4,6,23,25,37,38-hexazaheptacyclo[26.5.3.13,7.122,26.09,14.015,20.031,35]octatriaconta-1(34),3(38),4,6,9,11,13,15,17,19,22,24,26(37),28(36),29,31(35),32-heptadecaene
• 英文别名: 5,24-dichloro-2,8,21,27-tetraoxa-4,6,23,25,37,38-hexazaheptacyclo[26.5.3.13,7.122,26.09,14.015,20.031,35]octatriaconta-1(34),3(38),4,6,9,11,13,15,17,19,22,24,26(37),28(36),29,31(35),32-heptadecaene
• CAS: 1448898-15-4
• 化学式: C₂₈H₁₄Cl₂N₆O₄
• 分子量: 569.363
• InChiKey: BFXKQVCNVGSILW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2,7-二羟基萘 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 64.5h， 生成 5,24-Dichloro-2,8,21,27-tetraoxa-4,6,23,25,37,38-hexazaheptacyclo[26.5.3.13,7.122,26.09,14.015,20.031,35]octatriaconta-1(34),3(38),4,6,9,11,13,15,17,19,22,24,26(37),28(36),29,31(35),32-heptadecaene
  参考文献：
  名称：

  Novel naphthalene-based fluorescent chemosensors for Cu²⁺and Fe³⁺in aqueous media

  摘要：

  Three novel compounds bearing 2,7-dihydroxylnaphthalene capable of detecting Cu2+ or Fe3+ have been synthesised based on photoinduced electron transfer. The ability of these compounds for complex transition metal ions has been studied, and complex stoichiometry for Cu2+ and Fe3+ complex has been determined in the TrisHCl (0.01M DMSO/H2O (v/v) 1:1, buffer, pH 7.4) solution system by fluorescence titration experiments. These chemosensors form a 1:1 complex with Cu2+ or Fe3+ and show a fluorescent quenching with a binding constant of (4.46 +/- 0.29)x103 and (8.04 +/- 0.26)x104, respectively.

  DOI：

  10.1080/10610278.2012.735366