2,7-bis[4-(9-carbazolyl)phenyl]-[1]benzothieno[3,2-b][1]benzothiophene | 1162669-61-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2,7-bis[4-(9-carbazolyl)phenyl]-[1]benzothieno[3,2-b][1]benzothiophene
• 英文别名: 9-[4-[2-(4-Carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]phenyl]carbazole；9-[4-[2-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]phenyl]carbazole
• CAS: 1162669-61-5
• 化学式: C₅₀H₃₀N₂S₂
• 分子量: 722.934
• InChiKey: JUSHEUUYWHPAJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  54
• 可旋转键数：
  4
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(9H-咔唑-9-基)苯硼酸 、 2,7-diiodo[1]benzothieno[3,2-b][1]benzothiophene 在 四(三苯基膦)钯 、 tripotassium phosphate "n" hydrate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以64%的产率得到2,7-bis[4-(9-carbazolyl)phenyl]-[1]benzothieno[3,2-b][1]benzothiophene
  参考文献：
  名称：

  Molecular Modification of 2,7-Diphenyl[1]benzothieno[3,2-b]benzothiophene (DPh-BTBT) with Diarylamino Substituents: From Crystalline Order to Amorphous State in Evaporated Thin Films

  摘要：

  在 2,7-二苯基[1]苯并噻吩并[3,2-b]苯并噻吩（DPh-BTBT）上引入二芳基氨基取代基会导致蒸发薄膜状态的形态发生变化：DPh-BTBT 为具有边缘分子取向的高结晶薄膜，而二芳基氨基衍生物则为无定形薄膜。前者不适合作为有机发光二极管（OLED）中的空穴传输层，而后者则可作为多层有机发光二极管中的优质空穴传输层。

  DOI：

  10.1246/cl.2009.420

文献信息

• ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：Nippon Steel & Sumikin Chemical Co., Ltd.

  公开号：EP2618394A1

  公开（公告）日：2013-07-24

  Provided is an organic electroluminescent device (organic EL device) that is improved in luminous efficiency, sufficiently secures driving stability, and has a simple configuration. The device comprises a plurality of organic layers between an anode and a cathode piled one upon another on a substrate wherein at least one of the organic layers contains a nitrogen-containing organic compound represented by the following formula (1). In formula (1), X is N-A, an oxygen atom, or a sulfur atom; A is an alkyl group, a cycloalkyl group, an aromatic hydrocarbon group, or an aromatic heterocyclic group; and R is a hydrogen atom, an alkyl group, a cycloalkyl group, an aromatic hydrocarbon group, or an aromatic heterocyclic group.

  本发明提供了一种有机电致发光器件（organic EL device），其发光效率更高，充分保证了驱动稳定性，且结构简单。该装置由多个有机层组成，有机层位于基底上的阳极和阴极之间，其中至少一个有机层含有由下式（1）表示的含氮有机化合物。式（1）中，X 是 N-A、氧原子或硫原子；A 是烷基、环烷基、芳香烃基或芳香杂环基；R 是氢原子、烷基、环烷基、芳香烃基或芳香杂环基。
• ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：Sawada Yuichi

  公开号：US20130200350A1

  公开（公告）日：2013-08-08

  Provided is an organic electroluminescent device (organic EL device) that is improved in luminous efficiency, sufficiently secures driving stability, and has a simple configuration. The device comprises a plurality of organic layers between an anode and a cathode piled one upon another on a substrate wherein at least one of the organic layers contains a nitrogen-containing organic compound represented by the following formula (1). In formula (1), X is N-A, an oxygen atom, or a sulfur atom; A is an alkyl group, a cycloalkyl group, an aromatic hydrocarbon group, or an aromatic heterocyclic group; and R is a hydrogen atom, an alkyl group, a cycloalkyl group, an aromatic hydrocarbon group, or an aromatic heterocyclic group.
• US9118028B2
  申请人：——

  公开号：US9118028B2

  公开（公告）日：2015-08-25
• Molecular Modification of 2,7-Diphenyl[1]benzothieno[3,2-<i>b</i>]benzothiophene (DPh-BTBT) with Diarylamino Substituents: From Crystalline Order to Amorphous State in Evaporated Thin Films
  作者：Takafumi Izawa、Hiroki Mori、Yusuke Shinmura、Masahito Iwatani、Eigo Miyazaki、Kazuo Takimiya、Hsio-Wen Hung、Masayuki Yahiro、Chihaya Adachi

  DOI：10.1246/cl.2009.420

  日期：2009.5.5

  Introduction of diarylamino substituents on 2,7-diphenyl[1]benzothieno[3,2-b]benzothiophene (DPh-BTBT) caused morphological change in the evaporated thin-film state: from highly crystalline films with edge-on molecular orientation for DPh-BTBT to amorphous films for the diarylamino derivatives. The former was unsuitable as a hole-transporting layer in organic light-emitting diodes (OLEDs), whereas the latter acted as a superior hole-transporting layer in multilayered OLEDs.

  在 2,7-二苯基[1]苯并噻吩并[3,2-b]苯并噻吩（DPh-BTBT）上引入二芳基氨基取代基会导致蒸发薄膜状态的形态发生变化：DPh-BTBT 为具有边缘分子取向的高结晶薄膜，而二芳基氨基衍生物则为无定形薄膜。前者不适合作为有机发光二极管（OLED）中的空穴传输层，而后者则可作为多层有机发光二极管中的优质空穴传输层。