(Phen)(PNP) | 1243290-36-9

• 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: (Phen)(PNP)
• CAS: 1243290-36-9
• 化学式: C₆H₅NO₃*C₁₂H₈N₂
• 分子量: 319.32
• InChiKey: MBKIVYMQUMBAQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.08
• 重原子数：
  24.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  89.15
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 对硝基苯酚 以 甲醇 为溶剂， 生成 (Phen)(PNP)
  参考文献：
  名称：

  Rational Analysis of Melting Point Behavior of Co-Crystals of 4-Nitrophenol with Some Aza-Compounds

  摘要：

  我们合成了 4-硝基苯酚与氮杂化合物的各种共晶体，并通过单晶 X 射线衍射法对其进行了表征。对所有共晶体的热分析表明，与各自的共形成体相比，它们的熔点更高。由于氮杂化合物的性质各不相同，因此很难对本文报告的共晶体熔点升高趋势进行关联分析。因此，我们根据氮杂化合物氮原子的位置对共晶体进行了分组。除了结构特征外，我们还通过考虑晶体密度、堆积效率和强氢键数量等参数，对共晶体的熔点趋势进行了关联分析。我们注意到，在同一组共晶体中，上述参数值较高的共晶体与参数值较低的共晶体相比，熔点较高，从而推断出这些参数与相应共晶体的熔点之间存在线性关系。

  DOI：

  10.1021/acs.cgd.6b01011

文献信息

• Synthesis, spectral investigations, antimicrobial activity and DNA-binding studies of novel charge transfer complex of 1,10-phenanthroline as an electron donor with π-acceptor p-Nitrophenol
  作者：Ishaat M. Khan、Afaq Ahmad

  DOI：10.1016/j.molstruc.2010.05.031

  日期：2010.8

  Proton or charge transfer (CT) complex of donor, 1,10-phenanthroline (Phen) with pi-acceptor, p-Nitrophenol (PNP) has been studied spectrophotometrically in methanol at room temperature. The binding of the CT complex with calf thymus (ct) DNA has been investigated by fluorescence spectrum, to establish the ability of the CT complex of its interaction with DNA. Stern-Volmer quenching constant (Ksv) has also been calculated. The formation constant (K-CT), molar extinction coefficient (epsilon(CT)), free energy (Delta G degrees) and stoichiometric ratio of the CT complex have been determined by Benesi-Hildebrand equation. The stoichiometry was found to be 1:1. The CT complex was screened for its pharmacology as antibacterial and antifungal activity against various bacterial and fungal strains, showing excellent antibacterial and antifungal activity. The newly synthesized CT complex has been characterized by FTIR spectra, elemental analysis, H-1 NMR, electronic absorption spectra. TCA-DTA studies were also carried out to check the stability of CT complex. (C) 2010 Elsevier B.V. All rights reserved.