4-[21-(4-Cyanophenyl)-5-decacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(36),2,4(22),5,7,9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl]benzonitrile | 1621669-56-4

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 4-[21-(4-Cyanophenyl)-5-decacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(36),2,4(22),5,7,9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl]benzonitrile
• CAS: 1621669-56-4
• 化学式: C₅₂H₂₆N₂
• 分子量: 678.792
• InChiKey: RITJYUUHAPPBTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  54
• 可旋转键数：
  2
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  9-菲硼酸频呢醇酯 、 4-[3-(4-Cyanophenyl)-4-oxo-5-pentacyclo[9.7.1.02,6.07,19.012,17]nonadeca-1(18),2,5,7,9,11(19),12,14,16-nonaenyl]benzonitrile 、 2-氨基-5-溴-4-氯苯甲酸 在 亚硝酸异戊酯 、 四(三苯基膦)钯 、 sodium carbonate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 邻二氯苯 、 水 、 甲苯 、 N,N-二甲基甲酰胺 为溶剂， 反应 13.0h， 生成 4-[21-(4-Cyanophenyl)-5-decacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(36),2,4(22),5,7,9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl]benzonitrile 、 4-[5-(4-Cyanophenyl)-21-decacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.029,37.030,35.019,38]octatriaconta-1(36),2,4(22),5,7,9,11,13,15(38),16,18,20,23,25,27,29(37),30,32,34-nonadecaenyl]benzonitrile
  参考文献：
  名称：

  [EN] NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME
  [FR] NOUVEAU COMPOSÉ POLYCYCLIQUE CONDENSÉ ET DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE COMPRENANT CELUI-CI

  摘要：

  本发明提供了一种新颖的融合多环化合物，适用于蓝光发射元件和包括该融合多环化合物的有机发光元件。该融合多环化合物由权利要求书1中的至少一个通式[1]和[2]表示。在通式[1]和[2]中，R1到R20分别表示氢原子或取代基。

  公开号：

  WO2014125970A1

文献信息

• Organic light emitting device
  申请人：CANON KABUSHIKI KAISHA

  公开号：US10854821B2

  公开（公告）日：2020-12-01

  Provided is an organic light emitting device having high emission efficiency and a long continuous driving lifetime. The organic light emitting device includes: an anode; a cathode; and an emitting layer placed between the anode and the cathode, in which: the emitting layer contains an emitting material that emits fluorescence; and in an emission wavelength region of the emitting material, an absorption peak of an absorption spectrum in a minimum excited triplet state of a material having a smallest minimum excited triplet energy out of constituent materials in the emitting layer is absent.

  本文提供了一种具有高发射效率和长连续驱动寿命的有机发光器件。该有机发光器件包括：阳极；阴极；以及位于阳极和阴极之间的发光层，其中：发光层包含发射荧光的发光材料；以及在发光材料的发射波长区域内，发光层中具有最小激发三重态能量的材料的最小激发三重态吸收光谱的吸收峰不存在。
• Organic light emitting element
  申请人：CANON KABUSHIKI KAISHA

  公开号：US11139435B2

  公开（公告）日：2021-10-05

  Provided is an organic light emitting element including: an anode; a cathode; and an organic compound layer formed between the anode and the cathode and including a hole injection layer, a hole transport layer, and an emission layer, in which: the emission layer includes a host and a dopant; the hole transport layer includes a hole transport material having multiple aromatic hydrocarbon skeletons and a single bond for linking the aromatic hydrocarbon skeletons; the hole transport material has a triplet level T1 of 1.8 eV or more; the hole transport material has a hole mobility of 1×10−5 cm2/Vs or more; and the hole transport layer and the emission layer satisfy relationships represented by the following expression (1): |reduction potential of hole transport material|−|reduction potential of host|>0.1 V  (1) and the following expression (2): |HOMO level of hole transport material−HOMO level of host|<0.1 eV  (2).

  提供了一种有机发光元件，包括：阳极；阴极；以及形成于阳极和阴极之间的有机化合物层，包括空穴注入层、空穴传输层和发射层，其中：发射层包括宿主和掺杂剂；空穴传输层包括具有多个芳香烃骨架和用于连接芳香烃骨架的单键的空穴传输材料；空穴传输材料的三重态电平T1为1.8eV或更高；空穴传输材料的空穴迁移率为1×10-5 cm2/Vs或更高；空穴传输层和发射层满足以下表达式(1)所表示的关系： |空穴传输材料的还原电位|-|宿主的还原电位|>0.1 V (1) 和以下表达式 (2)： |空穴传输材料的高电平-宿主的高电平|<0.1 eV (2)。
• NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME
  申请人：CANON KABUSHIKI KAISHA

  公开号：US20160035982A1

  公开（公告）日：2016-02-04

  The present invention provides a novel fused polycyclic compound suitably used for a blue light emitting element and an organic light emitting element including the fused polycyclic compound. A fused polycyclic compound is represented by at least one of the general formulas [1] and [2] according to claim 1. In the general formulas [1] and [2], R 1 to R 20 each represent a hydrogen atom or a substituent.
• ORGANIC LIGHT EMITTING DEVICE
  申请人：CANON KABUSHIKI KAISHA

  公开号：US20160093809A1

  公开（公告）日：2016-03-31

  Provided is an organic light emitting device having high emission efficiency and a long continuous driving lifetime. The organic light emitting device includes: an anode; a cathode; and an emitting layer placed between the anode and the cathode, in which: the emitting layer contains an emitting material that emits fluorescence; and in an emission wavelength region of the emitting material, an absorption peak of an absorption spectrum in a minimum excited triplet state of a material having a smallest minimum excited triplet energy out of constituent materials in the emitting layer is absent.
• US9472766B2
  申请人：——

  公开号：US9472766B2

  公开（公告）日：2016-10-18