17-(Dicyanomethylidene)-2,4,7,9-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene-5,6-dicarbonitrile | 1031811-08-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 17-(Dicyanomethylidene)-2,4,7,9-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene-5,6-dicarbonitrile
• 英文别名: 17-(dicyanomethylidene)-2,4,7,9-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene-5,6-dicarbonitrile
• CAS: 1031811-08-1
• 化学式: C₁₈H₄N₈
• 分子量: 332.283
• InChiKey: PIBUZUIFXSOVMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  147
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  17-Oxo-2,4,7,9-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene-5,6-dicarbonitrile 、 丙二腈 在 吡啶 作用下， 反应 6.0h， 生成 17-(Dicyanomethylidene)-2,4,7,9-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene-5,6-dicarbonitrile
  参考文献：
  名称：

  Material for an organic electroluminescence device and an organic electroluminescence device

  摘要：

  以下是有机电致发光装置的材料，其化学式如下（I）：其中X1是以下（a）到（e）中表示的二价基团之一；Y1到Y4独立地是碳原子或氮原子；而R1到R4独立地是氢原子、烷基、取代或未取代芳基、取代或未取代杂环、卤素原子、氟烷基或氰基，或者R1和R2以及R3和R4独立地结合形成取代或未取代芳环或取代或未取代杂环。

  公开号：

  US08119828B2

文献信息

• MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：Morishita Hironobu

  公开号：US20100044686A1

  公开（公告）日：2010-02-25

  A material for an organic electroluminescence device represented by the following formula (I): wherein X 1 is one of divalent groups represented by the following (a) to (e); Y 1 to Y 4 are independently a carbon atom or a nitrogen atom; and R 1 to R 4 are independently a hydrogen atom, an alkyl group, a substituted or unsubstituted aryl group, a substituted or unsubstituted heterocycle, a halogen atom, a fluoroalkyl group or a cyano group, or R 1 and R 2 , and R 3 and R 4 are independently bonded to form a substituted or unsubstituted aromatic ring or a substituted or unsubstituted heterocycle.
• US8119828B2
  申请人：——

  公开号：US8119828B2

  公开（公告）日：2012-02-21
• Material for an organic electroluminescence device and an organic electroluminescence device
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：US08119828B2

  公开（公告）日：2012-02-21

  A material for an organic electroluminescence device represented by the following formula (I): wherein X1 is one of divalent groups represented by the following (a) to (e); Y1 to Y4 are independently a carbon atom or a nitrogen atom; and R1 to R4 are independently a hydrogen atom, an alkyl group, a substituted or unsubstituted aryl group, a substituted or unsubstituted heterocycle, a halogen atom, a fluoroalkyl group or a cyano group, or R1 and R2, and R3 and R4 are independently bonded to form a substituted or unsubstituted aromatic ring or a substituted or unsubstituted heterocycle.

  以下是有机电致发光装置的材料，其化学式如下（I）：其中X1是以下（a）到（e）中表示的二价基团之一；Y1到Y4独立地是碳原子或氮原子；而R1到R4独立地是氢原子、烷基、取代或未取代芳基、取代或未取代杂环、卤素原子、氟烷基或氰基，或者R1和R2以及R3和R4独立地结合形成取代或未取代芳环或取代或未取代杂环。