dibenzo-42-crown-14 | 147762-60-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: dibenzo-42-crown-14
• 英文别名: 2,5,8,11,14,17,20,27,30,33,36,39,42,45-Tetradecaoxatricyclo[44.4.0.021,26]pentaconta-1(50),21,23,25,46,48-hexaene
• CAS: 147762-60-5
• 化学式: C₃₆H₅₆O₁₄
• 分子量: 712.832
• InChiKey: RXGWDTIZVPJTNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  50
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  dibenzo-42-crown-14 、 [Ru(1,10-phenanthroline)(NH3)4](PF6)2 以 二氯甲烷 为溶剂， 以68%的产率得到(OC-6-22)-tetrammine(1,10-phenanthroline-N,N')ruthenium(II) bis(hexafluorophosphate), dibenzo-42-crown-14 adduct, dichloromethanesolvate
  参考文献：
  名称：

  An Adduct Between Tetraammine(1,10-phenanthroline)ruthenium(II) and Dibenzo-42-crown-14

  摘要：

  The crystal structure of the adduct dibenzo-42-crown-14 (OC-6-22)-tetraammine(1, 10-phenanthroline-N,N')-ruthenium(II) bis(hexafluorophosphate) dichloromethane solvate, [RU(C12H8N2)(NH3)(4)](PF6)(2).C36H56O14CH2Cl2, is reported. The guest Ru complex is located deep within the U-shaped cavity formed by folding of the flexible crown host. The ammine ligands of the Ru complex participate in an extensive network of hydrogen bonds with the ether O atoms of the crown. Weak pi stacking appears to occur between the aromatic rings of the phenanthroline ligand and the benzene groups of the crown ether.

  DOI：

  10.1107/s010827019800554x