2,9-di-tert-butylpyrazino[2',3':9,10]phenanthro[4,5-fgh]quinoxaline-5,6,12,13-tetracarbonitrile | 918531-48-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2,9-di-tert-butylpyrazino[2',3':9,10]phenanthro[4,5-fgh]quinoxaline-5,6,12,13-tetracarbonitrile
• 英文别名: pyrazino[2',3':9,10]phenanthro[4,5-fgh]quinoxaline-5,6,12,13-tetracarbonitrile, 2,9-bis(1,1-dimethylethyl)；10,21-Ditert-butyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2,4,6,8,10,12(24),13,15,17,19(23),20-dodecaene-4,5,15,16-tetracarbonitrile
• CAS: 918531-48-3
• 化学式: C₃₂H₂₂N₈
• 分子量: 518.58
• InChiKey: DOPDCZMRTNXWPT-UHFFFAOYSA-N

物化性质

• 熔点：
  281 °C
• 沸点：
  836.7±65.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  40
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  2,7-二叔丁基芘 在 sodium periodate 、 ruthenium(III) chloride trihydrate 、 溶剂黄146 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 8.0h， 生成 2,9-di-tert-butylpyrazino[2',3':9,10]phenanthro[4,5-fgh]quinoxaline-5,6,12,13-tetracarbonitrile
  参考文献：
  名称：

  Dicyanopyrazine-Containing Fused Aromatic Molecules: Potential n-Type Materials for Use in Optoelectronic Devices

  摘要：

  Two dicyanopyrazine-containing aromatic compounds, pyrazino[20,30: 9,10] phenanthro[4,5-fgh] quinoxaline-5,6,12,13-tetracarbonitrile (PPQD) and pyrazino[20,30: 9,10] phenanthro[4,5-fgh] quinoxaline-5,6,12,13-tetracarbonitrile, 2,9-bis(1,1-dimethylethyl) (PPQB), which have remarkably high electron affinity and ionization potential, were synthesized and qualified as potential n-type materials for use in solar cells and organic light-emitting diodes.

  DOI：

  10.1080/00397911.2010.517893

文献信息

• Di‐ and Tetracyano‐Substituted Pyrene‐Fused Pyrazaacenes: Aggregation in the Solid State
  作者：Lucas Ueberricke、Ioana Ciubotaru、Farhad Ghalami、Felix Mildner、Frank Rominger、Marcus Elstner、Michael Mastalerz

  DOI：10.1002/chem.202002382

  日期：2020.9.4

  Five di‐ and tetracyano‐substituted pyrene‐fused pyrazaacenes were synthesized and studied as potential electron acceptors in the solid state. Single crystals of all compounds were grown and the crystal packing studied by DFT calculations (transfer integrals and reorganization energies) to get insight into possible use for semiconducting charge transport.

  合成并研究了五种二氰基和四氰基取代的芘稠合吡啶并苯作为固态潜在电子受体。生长所有化合物的单晶，并通过 DFT 计算（转移积分和重组能）研究晶体堆积，以深入了解半导体电荷传输的可能用途。
• ORGANIC THIN FILM TRANSISTOR
  申请人：LG Chem, Ltd.

  公开号：EP1836731B1

  公开（公告）日：2017-10-11
• PYRENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING PYRENE DERIVATIVES
  申请人：LG CHEM, LTD.

  公开号：EP1828343B1

  公开（公告）日：2016-12-07
• Organic thin film transistor
  申请人：Hwang Ho In

  公开号：US20070023749A1

  公开（公告）日：2007-02-01

  The present invention relates to an organic thin film transistor which includes an organic layer comprising an organic compound facilitating the ohmic contact between a semi-conducting layer and electrodes and serving as the semi-conducting layer. The organic thin film transistor according to the present invention has excellent electric contact between the semiconductor layer and the source electrode/drain electrode, and thus can be widely used as components for electric/electronic devices. As a result, as the materials for the source electrode or the drain electrode in the organic thin film transistor, materials which are less expensive and excellent in processibility though they have a low work function as the materials can be used.
• Pyrene derivatives and organic electronic device using pyrene derivatives
  申请人：Lee Hoon Dong

  公开号：US20070069203A1

  公开（公告）日：2007-03-29

  The present invention provides an organic electronic device using the compound of the formula (1) and a pyrene derivative having a new structure.