7,16-Bis(phenanthridin-6-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane | 155891-88-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7,16-Bis(phenanthridin-6-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
• CAS: 155891-88-6
• 化学式: C₄₀H₄₄N₄O₄
• 分子量: 644.814
• InChiKey: CZSPVVKPHGCTLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  48
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  69.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  7,16-Bis(phenanthridin-6-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane 在 potassium iodide 作用下， 以 二氯甲烷 、 水 为溶剂， 生成
  参考文献：
  名称：

  Fluoroionophores with phenanthridinyl units

  摘要：

  Novel fluoroionophores bearing two (1) and one (2) fluorophoric6-phenanthridinyl units attached by a short methylene spacer onto nitrogen atoms of 7,16-diaza- and aza-l8-crown-6 rings have been prepared in high yields. The fluoroionophores exhibited the ability to signal binding of certain metal cations through the specific complexation induced shifts (CIS) of phenanthridine protons in H-1 NMR spectra as well as by the large intensity enhancements in fluorescence spectra. The X-ray structure analysis of [1, K+(C2H4Cl2)] picrate complex revealed that K+ is nine-coordinated, using all donors from the diazacrown ring, one chlorine atom from 1,2-dichloroethane solvent molecule and both nitrogen donors from syn-oriented phenanthridine units.

  DOI：

  10.1016/s0040-4039(00)61427-2
• 作为产物：
  描述：

  以 二氯甲烷 、 水 为溶剂， 生成 7,16-Bis(phenanthridin-6-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
  参考文献：
  名称：

  Fluoroionophores with phenanthridinyl units

  摘要：

  Novel fluoroionophores bearing two (1) and one (2) fluorophoric6-phenanthridinyl units attached by a short methylene spacer onto nitrogen atoms of 7,16-diaza- and aza-l8-crown-6 rings have been prepared in high yields. The fluoroionophores exhibited the ability to signal binding of certain metal cations through the specific complexation induced shifts (CIS) of phenanthridine protons in H-1 NMR spectra as well as by the large intensity enhancements in fluorescence spectra. The X-ray structure analysis of [1, K+(C2H4Cl2)] picrate complex revealed that K+ is nine-coordinated, using all donors from the diazacrown ring, one chlorine atom from 1,2-dichloroethane solvent molecule and both nitrogen donors from syn-oriented phenanthridine units.

  DOI：

  10.1016/s0040-4039(00)61427-2