2-[4-(Dicyanomethylidene)-2,3-difluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile | 237059-03-9

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 醌二甲烷类
• 英文名称: 2-[4-(Dicyanomethylidene)-2,3-difluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
• 英文别名: 2-[4-(dicyanomethylidene)-2,3-difluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
• CAS: 237059-03-9
• 化学式: C₁₂H₂F₂N₄
• 分子量: 240.171
• InChiKey: YDHRPZYWEMTGCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  bis(pentamethylcyclopentadienyl)iron(II) 、 2-[4-(Dicyanomethylidene)-2,3-difluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile 以 乙醚 、 乙腈 为溶剂， 以76%的产率得到[Fe(C5Me5)2][2,3-F2(7,7,8,8-tetracyano-p-quinodimethanide)]
  参考文献：
  名称：

  F1-和F2-TCNQ的十甲基和八甲基二茂铁盐：氟取代对晶体结构和磁相互作用的影响

  摘要：

  摘要制备了FnTCNQ（n = 1，2）的十甲基和八甲基二茂铁盐，并对其晶体结构进行了表征。2,5-F2TCNQ盐[Fe（C5Me5）2]（2,5-F2TCNQ）（1）和[Fe（C5Me4H）2]（2,5-F2TCNQ）（2）显示一维…[D] + [A]-[D] + [A]-…混合堆叠结构，而带有极性受体[Fe（C5Me5）2] [A]的盐（A = F1TCNQ（3），2,3-F2TCNQ（4 ），2,6-F2TCNQ（5）和[Fe（C5Me4H）2] [A]（A = 2,3-F2TCNQ（6），2,6-F2TCNQ（7））由[D] + [涉及受体的反磁性二聚体的A2] 2- [D] +单元。这些盐与相应的TCNQ盐同构。图1和图2在低温下表现出小的铁磁相互作用。图1的反铁磁相变在TN = 3.9 K，高于[Fe（C5Me5）2]（TCNQ）的亚磁性多晶型物的TN = 2.1K。

  DOI：

  10.1016/j.ica.2014.05.011

文献信息

• Organic electroluminescent materials and devices
  申请人：UNIVERSAL DISPLAY CORPORATION

  公开号：US11081659B2

  公开（公告）日：2021-08-03

  A compound is disclosed that is selected from the group consisting of a structure having Formula I and a structure having Formula II

  本发明公开了一种化合物，该化合物可从以下结构组成的组中选择： 式 I 和具有式 II 的结构
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20190214584A1

  公开（公告）日：2019-07-11

  A compound is disclosed that is selected from the group consisting of a structure having Formula I and a structure having Formula II
• ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR
  申请人：KYULUX, INC.

  公开号：US20190252625A1

  公开（公告）日：2019-08-15

  An organic light-emitting device having a light-emitting layer containing a compound represented by the general formula below has a high light emission efficiency. In the general formula, at least one of R 1 to R 5 represents a cyano group, at least one of R 1 to R 5 represents a 9-carbazolyl group, a 1,2,3,4-tetrahydro-9-carbazolyl group, a 1-indolyl group or a diarylamino group, and the balance of R 1 to R 5 represents a hydrogen atom or a substituent.
• LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS COMPRISING LIGHT-EMITTING DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：US20220181585A1

  公开（公告）日：2022-06-09

  A light-emitting device includes a first electrode, a second electrode facing the first electrode, and an interlayer disposed between the first electrode and the second electrode. The interlayer includes an emission layer, and a distributed Bragg reflector (DBR) layer in which a first layer and a second layer are alternately stacked. A refractive index of the first layer is different from a refractive index of the second layer.