N-ethyl-4,7-bis([1,10]-phenanthroline[5,6-f]imidazol-2-yl)carbazole | 677007-63-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: N-ethyl-4,7-bis([1,10]-phenanthroline[5,6-f]imidazol-2-yl)carbazole
• 英文别名: 2-[9-ethyl-6-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)carbazol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
• CAS: 677007-63-5
• 化学式: C₄₀H₂₅N₉
• 分子量: 631.699
• InChiKey: XAGCFZPGVRLNHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  49
• 可旋转键数：
  3
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  顺-双(2,2-二吡啶)二氯化钌(II) 水合物 、 N-ethyl-4,7-bis([1,10]-phenanthroline[5,6-f]imidazol-2-yl)carbazole 、 sodium perchlorate 以 乙二醇 为溶剂， 以77%的产率得到[(2,2'-bipyridine)2Ru(N-ethyl-4,7-bis([1,10]-phenathroline[5,6-f]imidazol-2-yl)carbazole)Ru(2,2'-bipyridine)2](ClO4)2*2MeOH*H2O
  参考文献：
  名称：

  The pH-Induced Emission Switching and Interesting DNA-Binding Properties of a Novel Dinuclear Ruthenium(II) Complex

  摘要：

  A novel dinuclear Ru(II) complex, [(bpy)(2)Ru(ebipcH(2))Ru(bpy)(2)](ClO4)(4), where bpy = 2,2'-bipyridine and ebipcH(2) = N-ethyl-4,7-bis([1,10]-phenanthroline[5,6-f]imidazol-2-yl)carbazole, has been newly synthesized. The pH effects on UV-vis absorption and emission spectra of the complex are studied, and ground- and excited-state ionization constants of the complex are derived. The binding of the complex to calf thymus (ct) DNA is investigated with absorption and luminescence titrations, steady-state emission quenching, and viscosity measurements. The complex acts as a pH-induced "on-off" emission switch between pH 8.0 and pH 10.0 with a maximum on-off ratio of similar to100 which is favorably compared with the other imidazole-containing Ru(II) complex congeners, and a strong ct-DNA intercalator with an intrinsic binding constant of 1.31(+/-0.08) x 10(6) M-1 in buffered 50 mM NaCl.

  DOI：

  10.1021/ic035109x