2,3,4,5-tetraphenylbenzonitrile | 78672-82-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3,4,5-tetraphenylbenzonitrile
• 英文别名: 2,3,4,5-tetraphenyl-benzonitrile；2,3,4,5-Tetraphenyl-benzonitril
• CAS: 78672-82-9
• 化学式: C₃₁H₂₁N
• 分子量: 407.514
• InChiKey: UHWSPWBXLJKVHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,3,4,5-tetraphenylbenzonitrile 在 氢氧化钾 、 乙醇 作用下， 生成 2,3,4,5-tetraphenyl-benzoic acid
  参考文献：
  名称：

  Aromatization of the Diels-Alder Adduct of Tetraphenylcyclopentadienone and Fumaronitrile¹

  摘要：

  DOI：

  10.1021/jo01098a004
• 作为产物：
  描述：

  Acetic acid (1R,4S)-2-cyano-7-oxo-1,4,5,6-tetraphenyl-bicyclo[2.2.1]hept-5-en-2-yl ester 在 sodium hydroxide 作用下， 以 氯仿 为溶剂， 反应 1.5h， 以36%的产率得到2,3,4,5-tetraphenylbenzonitrile
  参考文献：
  名称：

  Regioselective Diels-Alder reaction of 2-substituted acrylonitriles with cyclic dienones and hydrolytic ring cleavage of the adducts

  摘要：

  DOI：

  10.1021/jo00334a009

文献信息

• COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES
  申请人：Kyulux, Inc.

  公开号：US20190058130A1

  公开（公告）日：2019-02-21

  The present disclosure relates to compounds of Formula (I) as compounds capable of emitting delayed fluorescence, and uses of these compounds in organic light-emitting diodes.

  本公开涉及化合物I式化合物作为能够发射延迟荧光的化合物，以及这些化合物在有机发光二极管中的应用。
• Composition of matter for use in organic light-emitting diodes
  申请人：Kyulux, Inc.

  公开号：US11069860B2

  公开（公告）日：2021-07-20

  The present disclosure relates to compounds of Formula (I) as compounds capable of emitting delayed fluorescence, and uses of these compounds in organic light-emitting diodes.

  本公开涉及式 (I) 的化合物 以及这些化合物在有机发光二极管中的用途。
• Cu(I)-mediated cycloaddition reaction of zirconacyclopentadienes with fumaronitrile and application for synthesis of monocyano-substituted pentacenes
  作者：Tamotsu Takahashi、Yanzhong Li、Jinghan Hu、Fanzhi Kong、Kiyohiko Nakajima、Lishan Zhou、Ken-ichiro Kanno

  DOI：10.1016/j.tetlet.2007.07.075

  日期：2007.9

  Cu(I) -mediated reactions of zirconacyclopentadienes with fumaronitrile afforded the corresponding dicyanocyclohexadiene and benzonitrile derivatives in good yields. These products were selectively prepared by controlling the reaction temperature. Furthermore, the reaction was applicable for monocyano-substituted pentacene derivatives. (c) 2007 Published by Elsevier Ltd.
• OKU, AKIRA;HASEGAWA, HIROSHI;SHIMAZU, HIDETAKA;NISHIMURA, JUN;HARADA, TOS+, J. ORG. CHEM., 1981, 46, N 21, 4152-4157
  作者：OKU, AKIRA、HASEGAWA, HIROSHI、SHIMAZU, HIDETAKA、NISHIMURA, JUN、HARADA, TOS+

  DOI：——

  日期：——
• Organic electroluminescent device
  申请人：Sano Satoshi

  公开号：US20070202358A1

  公开（公告）日：2007-08-30

  An organic electroluminescent device, which comprises: a pair of electrodes; and an organic compound layer including a light-emitting layer between the pair of electrodes, wherein the organic compound layer comprises a compound represented by formula (I): wherein Z 1 , Z 2 , Z 3 and Z 4 each independently represents an atom selected from the group consisting of carbon, nitrogen, sulfur and oxygen and necessary for forming an unsaturated 6-membered ring skeleton, the atom may have a hydrogen atom or a substituent; a bond in the unsaturated 6-membered ring indicates a single bond or a double bond; and R 1 represents a substituent.