4-[3-[3-(19,19-Dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]dibenzothiophene | 1365692-82-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 4-[3-[3-(19,19-Dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]dibenzothiophene
• 英文别名: 4-[3-[3-(19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]dibenzothiophene
• CAS: 1365692-82-5
• 化学式: C₄₅H₃₀S
• 分子量: 602.799
• InChiKey: FYGBKLAVTSQEGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  46
• 可旋转键数：
  3
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-硼酸频哪醇酯-9,9-二甲基芴 在 2-双环己基膦-2',6'-二甲氧基联苯 、 bis-triphenylphosphine-palladium(II) chloride 、 四(三苯基膦)钯 、 palladium diacetate potassium phosphate 、 水 、 caesium carbonate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 41.0h， 生成 4-[3-[3-(19,19-Dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl)phenyl]phenyl]dibenzothiophene
  参考文献：
  名称：

  [EN] NEW CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME
  [FR] NOUVEAU COMPOSÉ POLYCYCLIQUE CONDENSÉ ET ÉLÉMENT ÉLECTROLUMINESCENT ORGANIQUE L'UTILISANT

  摘要：

  本发明提供一种稳定的新型稠环化合物，不太可能形成分子缔合物。此外，本发明还提供一种具有高发光效率和低驱动电压的有机发光元件。在权利要求1中表示的稠环化合物中，其一般式[1]中，R1、R2和R5分别独立地选自氢原子、具有1至4个碳原子的烷基基团、芳基团和杂环基团。R3和R4各代表具有1至4个碳原子的烷基基团。芳基团和杂环基团各可能具有烷基基团、芳基烷基基团、芳基团、杂环基团、氨基和烷氧基等取代基中的至少一个。

  公开号：

  WO2012035962A1

文献信息

• NEW CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME
  申请人：Yamada Naoki

  公开号：US20130175519A1

  公开（公告）日：2013-07-11

  The present invention provides a stable new condensed polycyclic compound which is not likely to form a molecular association. In addition, the present invention also provides an organic light-emitting element having a high light-emitting efficiency and a low drive voltage. In the condensed polycyclic compound in Claim 1 represented by the general formula [1], R1, R2 and R5 are each independently selected from a hydrogen atom, an alkyl group having 1 to 4 carbon atoms, an aryl group, and a heterocyclic group. R3 and R4 each represent an alkyl group having 1 to 4 carbon atoms. The aryl group and the heterocyclic group each may have at least one of an alkyl group, an aralkyl group, an aryl group, a heterocyclic group, an amino group, and an alkoxy group as a substituent.
• [EN] NEW CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME<br/>[FR] NOUVEAU COMPOSÉ POLYCYCLIQUE CONDENSÉ ET ÉLÉMENT ÉLECTROLUMINESCENT ORGANIQUE L'UTILISANT
  申请人：CANON KK

  公开号：WO2012035962A1

  公开（公告）日：2012-03-22

  The present invention provides a stable new condensed polycyclic compound which is not likely to form a molecular association. In addition, the present invention also provides an organic light-emitting element having a high light-emitting efficiency and a low drive voltage. In the condensed polycyclic compound in Claim 1 represented by the general formula [1], R1, R2 and R5 are each independently selected from a hydrogen atom, an alkyl group having 1 to 4 carbon atoms, an aryl group, and a heterocyclic group. R3 and R4 each represent an alkyl group having 1 to 4 carbon atoms. The aryl group and the heterocyclic group each may have at least one of an alkyl group, an aralkyl group, an aryl group, a heterocyclic group, an amino group, and an alkoxy group as a substituent.

  本发明提供一种稳定的新型稠环化合物，不太可能形成分子缔合物。此外，本发明还提供一种具有高发光效率和低驱动电压的有机发光元件。在权利要求1中表示的稠环化合物中，其一般式[1]中，R1、R2和R5分别独立地选自氢原子、具有1至4个碳原子的烷基基团、芳基团和杂环基团。R3和R4各代表具有1至4个碳原子的烷基基团。芳基团和杂环基团各可能具有烷基基团、芳基烷基基团、芳基团、杂环基团、氨基和烷氧基等取代基中的至少一个。