5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile
• 英文别名: 5-Amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidin-1-yl-1,6-naphthyridine-8-carbonitrile
• 化学式: C₂₇H₂₅N₅O
• 分子量: 435.528
• InChiKey: YGUUMIBJGFIGLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  88.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  哌啶 、 1-(4-(4-methoxybenzyl)phenyl)ethan-1-one 、 丙二腈 以 乙醇 为溶剂， 反应 10.0h， 生成 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile
  参考文献：
  名称：

  Intramolecular N—H...π(phenyl) and intermolecular C—H...π(phenyl) interactions in 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile--benzene(2/1)

  摘要：

  The structure of the title compound, C27H25N5O . 0.5C(6)H(6), has been determined from X-ray diffraction data. The compound crystallizes from benzene in the triclinic system, space group , with two molecules in the asymmetric unit. The naphthyridine ring system is almost planar and the six-membered piperidine ring adopts a chair conformation. Intramolecular N-H ...pi interactions are observed in the system with an N ...pi (phenyl centroid) distance of 3.619 (3) Angstrom, and C-H ...pi interactions between the naphthyridine molecule and the solvent are also observed.

  DOI：

  10.1107/s0108270199005879

文献信息

• [EN] ORGANIC LIGHT EMITTING DEVICE WITH THERMALLY ACTIVATED DELAYED FLUORESCENT LIGHT EMITTING MATERIAL<br/>[FR] DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE POURVU D'UN MATÉRIAU ÉMETTEUR DE LUMIÈRE FLUORESCENTE RETARDÉE, THERMIQUEMENT ACTIVÉ
  申请人：COMMW SCIENT IND RES ORG

  公开号：WO2016191803A1

  公开（公告）日：2016-12-08

  The present disclosure is directed to organic electroluminescent devices comprising thermally activated emission material(s) in an emission layer. The present disclosure is also directed to compounds capable of providing thermally activated delayed fluorescence, and to emission layers comprising at least one of the compounds. The compounds may be used in organic layers such as emission layers of an organic electroluminescence device such as fluorescent OLEDs.

  本公开涉及包含在发射层中的热激发发光材料的有机电致发光器件。本公开还涉及能够提供热激发延迟荧光的化合物，以及包含至少一种该化合物的发射层。这些化合物可以用于有机电致发光器件的有机层，如荧光OLED的发射层。
• ORGANIC LIGHT EMITTING DEVICE WITH THERMALLY ACTIVATED DELAYED FLUORESCENT LIGHT EMITTING MATERIAL
  申请人：Commonwealth Scientific and Industrial Research Organisation

  公开号：US20180148428A1

  公开（公告）日：2018-05-31

  The present disclosure is directed to organic electroluminescent devices comprising thermally activated emission material(s) in an emission layer. The present disclosure is also directed to compounds capable of providing thermally activated delayed fluorescence, and to emission layers comprising at least one of the compounds. The compounds may be used in organic layers such as emission layers of an organic electroluminescence device such as fluorescent OLEDs.