4,4'-bidibenzothiophene | 119748-44-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 4,4'-bidibenzothiophene
• 英文别名: [4,4']bidibenzothiophene；[4,4']Bidibenzothiophen；4-Dibenzothiophen-4-yldibenzothiophene
• CAS: 119748-44-6
• 化学式: C₂₄H₁₄S₂
• 分子量: 366.507
• InChiKey: SXLAKMUMJHIHHW-UHFFFAOYSA-N

物化性质

• 熔点：
  189-190 °C
• 沸点：
  617.0±30.0 °C(Predicted)
• 密度：
  1.356±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4'-bidibenzothiophene 在 正丁基锂 、 palladium diacetate 、 potassium carbonate 、 三(邻甲基苯基)磷 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 水 、 甲苯 为溶剂， 反应 27.0h， 生成 2-{3-[6-(dibenzothiophen-4-yl)dibenzothiophen-4-yl]phenyl}dibenzo[f,h]quinoxaline
  参考文献：
  名称：

  JP2015078178A5

  摘要：

  公开号：

  JP2015078178A5
• 作为产物：
  描述：

  4-碘二苯并噻吩 在 铜 作用下， 生成 4,4'-bidibenzothiophene
  参考文献：
  名称：

  Synthesis of Some Dibenzothiophene Derivatives

  摘要：

  DOI：

  10.1021/jo01356a014

文献信息

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

  公开号：EP3439058A1

  公开（公告）日：2019-02-06

  Provided is an organic EL device that exhibits high luminous efficiency and has high stability when driven despite having low voltage. The organic electroluminescent device is obtained by laminating an anode, organic layers and a cathode on a substrate, wherein at least one of the organic layers contains (i) a compound represented by chemical formula (1) below, and (ii) a carborane compound having one or more divalent carborane groups and an aromatic group substituted for the carborane group. In the formulas, X1 and X2 represent NR1, PR2, O, S, Se, CR3R4 or SiR5R6 and Y represents a single bond or aromatic group.

  本发明提供了一种有机电致发光器件，尽管电压较低，但其发光效率高，驱动时稳定性高。该有机电致发光器件是通过在基板上层叠阳极、有机层和阴极而获得的，其中至少一个有机层包含(i) 下文化学式(1)所代表的化合物，和(ii) 具有一个或多个二价硼烷基团和一个芳香基团取代硼烷基团的硼烷化合物。在化学式中，X1 和 X2 代表 NR1、PR2、O、S、Se、CR3R4 或 SiR5R6，Y 代表单键或芳香基团。
• Organic electroluminescent element
  申请人：NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD.

  公开号：US10622570B2

  公开（公告）日：2020-04-14

  Provided is an organic EL device that exhibits high luminous efficiency and has high stability when driven despite having low voltage. The organic electroluminescent device is obtained by laminating an anode, organic layers and a cathode on a substrate, wherein at least one of the organic layers contains (i) a compound represented by chemical formula (1) below, and (ii) a carborane compound having one or more divalent carborane groups and an aromatic group substituted for the carborane group. In the formulas, X1 and X2 represent NR1, PR2, O, S, Se, CR3R4 or SiR5R6 and Y represents a single bond or aromatic group.

  本发明提供了一种有机电致发光器件，尽管电压较低，但其发光效率高，驱动时稳定性高。该有机电致发光器件是通过在基板上层叠阳极、有机层和阴极而获得的，其中至少一个有机层包含(i) 下文化学式(1)所代表的化合物，和(ii) 具有一个或多个二价硼烷基团和一个芳香基团取代硼烷基团的硼烷化合物。在化学式中，X1 和 X2 代表 NR1、PR2、O、S、Se、CR3R4 或 SiR5R6，Y 代表单键或芳香基团。
• Redox and EPR Spectral Behaviour of Radical Cations of Dibenzothiophene and Some of its Derivatives.
  作者：Lennart Eberson、Michael P. Hartshorn、Ola Persson、Finn Radner、Suzanne Fery-Forgues、Wenjun Shi、Stenbjörn Styring、Cecilia Tommos、Kurt Warncke、Bryan R. Wood

  DOI：10.3891/acta.chem.scand.51-0492

  日期：——

  The radical cations of dibenzothiophene 1 and its 2,8-[H-2(2)]-isotopomer (2), a series of methylated dibenzothiophenes, viz. 2,8- (3), 3,7- (4) and 4,6-dimethyldibenzothiophene (5), and 2,4,6,8-tetramethyldibenzothiophene (6), as well as 2,2'-(7) and 4,4'-bidibenzothiophene (8) have been generated in 1,1,1,3,3,3-hexafluoropropan-2-ol, mostly by Tl-III trifluoroacetate or 4-tolyl-Tl-III trifluoroacetate oxidation. From the hyperfine coupling constants obtained, it is concluded that the 2- and 4-positions of 1(.+) are the carbon atoms possessing the highest spin density. This assignment agrees with results of high-level quantum-chemical calculations, placing the B-2(1) state as the lowest energy level of 1(.+).
• [EN] NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME<br/>[FR] NOUVEAU COMPOSÉ HÉTÉROCYCLIQUE ET DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE L'UTILISANT<br/>[KO] 신규한 헤테로 고리 화합물 및 이를 이용한 유기발광 소자
  申请人：LG CHEMICAL LTD

  公开号：WO2020022779A1

  公开（公告）日：2020-01-30

  본 발명은 신규한 헤테로 고리 화합물 및 이를 이용한 유기발광 소자를 제공한다.