1-[4-[2-(4-Isoquinolin-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]isoquinoline | 1214276-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-[4-[2-(4-Isoquinolin-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]isoquinoline
• CAS: 1214276-67-1
• 化学式: C₄₀H₂₆N₄
• 分子量: 562.673
• InChiKey: QWHYUWAVRIURFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  44
• 可旋转键数：
  5
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-二氯-6-(4-苯基)-嘧啶 、 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]isoquinoline 在 四(三苯基膦)钯 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 甲苯 为溶剂， 反应 12.0h， 以68%的产率得到1-[4-[2-(4-Isoquinolin-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]isoquinoline
  参考文献：
  名称：

  [EN] MATERIAL FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME
  [FR] MATÉRIAU POUR DISPOSITIF PHOTOÉLECTRIQUE ORGANIQUE ET DISPOSITIF PHOTOÉLECTRIQUE ORGANIQUE LE COMPORTANT

  摘要：

  公开号：

  WO2010024572A3

文献信息

• ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US20190312207A1

  公开（公告）日：2019-10-10

  Provided is an organic electroluminescent element having optimal light emission characteristics. The above problem is solved by an organic electroluminescent element having a light emitting layer containing a compound of formula (1) or a multimer compound having a plurality of structures of formula (1), and a compound of formula (2A) or (2B) in formula (1), ring A, ring B, and ring C each represent an aryl ring or the like, X 1 and X 2 each represent >O or >N—R, and the R represents an aryl or the like, and in formula (2A) or (2B), X represents an aryl or the like, and Z represents a single bond, a divalent group, or the like.

  提供的是具有最佳光发射特性的有机电致发光元件。上述问题通过具有包含化合物的发光层的有机电致发光元件得到解决，该化合物具有式（1）或具有多个式（1）结构的多聚物化合物，以及式（1）中的化合物（2A）或（2B），其中，环A、环B和环C分别代表芳基环等，X1和X2分别代表> O或> N-R，R代表芳基等，在式（2A）或（2B）中，X代表芳基等，Z代表单键、二价基团等。
• POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US20200207787A1

  公开（公告）日：2020-07-02

  A polycyclic aromatic compound in which a plurality of aromatic rings are connected by a boron atom and an oxygen atom, a sulfur atom or a selenium atom and substituted by a specific aryl such as anthracene, is useful as a material for an organic device. By the polycyclic aromatic compound, an organic EL device having at least one of efficiency and device life can be provided.

  一种多环芳香化合物，其中多个芳香环通过硼原子和氧原子、硫原子或硒原子连接，并以特定的芳基（如蒽）取代，可用作有机器件的材料。通过这种多环芳香化合物，可以提供至少在效率和器件寿命方面具有优势的有机EL器件。
• Organic electroluminescent element
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US11139438B2

  公开（公告）日：2021-10-05

  By manufacturing an organic EL element using a material for a light emitting layer including a pyrene-based compound represented by the following formula (2) as a host material and a polycyclic aromatic compound in which a plurality of aromatic rings is linked with a boron atom and a nitrogen atom or an oxygen atom as a dopant material, an organic EL element having, for example, excellent light emission efficiency is provided. In the above formula (2), at least one hydrogen atom in a pyrene moiety may be substituted by an aryl having 6 to 10 carbon atoms or the like. Ar represents an aryl having 14 to 40 carbon atoms or a heteroaryl having 12 to 40 carbon atoms. These groups may be substituted by an aryl having 6 to 10 carbon atoms or the like. s and p each independently represent an integer of 1 or 2. s and p do not simultaneously represent 2. One or more hydrogen atoms in a compound represented by formula (2) may be each independently substituted by a halogen atom, cyano, or a deuterium atom.

  通过使用以下公式（2）表示的基于吡啶的化合物作为主体材料，并且使用多个芳香环与硼原子和氮原子或氧原子连接的多环芳香化合物作为掺杂材料，制造有机EL元件，其中包括用于发光层的材料，提供了例如具有优异发光效率的有机EL元件。在上述公式（2）中，吡啶基中的至少一个氢原子可以被芳基取代，该芳基具有6到10个碳原子或类似物。Ar代表具有14到40个碳原子的芳基或具有12到40个碳原子的杂环芳基。这些基团可以被具有6到10个碳原子的芳基或类似物取代。s和p分别独立表示为1或2的整数。s和p不同时表示为2。由公式（2）表示的化合物中的一个或多个氢原子可以分别被卤素原子、氰基或氘原子取代。
• POLYCYCLIC AROMATIC COMPOUND
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US20200190115A1

  公开（公告）日：2020-06-18

  The present invention provides a novel polycyclic aromatic compound having a plurality of aromatic rings linked by a boron atom, a nitrogen atom, and the like, and thus increases the number of alternatives of a material for an organic electroluminescent (EL) device. Furthermore, the present invention provides an excellent organic EL device by using a novel polycyclic aromatic compound as a material for an organic EL device.

  本发明提供了一种新型多环芳香化合物，其中多个芳香环由硼原子、氮原子等连接，从而增加了有机电致发光（EL）器件材料的选择。此外，本发明通过使用新型多环芳香化合物作为有机EL器件的材料，提供了优秀的有机EL器件。
• CYCLOALKANE-CONDENSED POLYCYCLIC AROMATIC COMPOUND
  申请人：Kwansei Gakuin Educational Foundation

  公开号：EP3960744A1

  公开（公告）日：2022-03-02

  According to the present invention, options for materials for organic devices such as materials for organic EL elements are increased by addition of a cycloalkane, by condensation, to a polycyclic aromatic compound in which a plurality of aromatic rings are linked together by boron atoms, oxygen atoms, and the like. By using a novel cycloalkane-condensed polycyclic aromatic compound as a material for an organic EL element, for example, an organic EL element having excellent emission efficiency and element life is provided.

  根据本发明，在多个芳香环通过硼原子、氧原子等连接在一起的多环芳香化合物中，通过缩合加入环烷，增加了有机器件材料（如有机电致发光元件材料）的选择。例如，使用新型环烷缩合多环芳烃化合物作为有机电致发光元件的材料，可提供具有出色发射效率和元件寿命的有机电致发光元件。