2-[3-(4,6-Dimethylpyrimidin-2-yl)-5,9-dimethyl-6,8-diphenylpyren-1-yl]-4,6-dimethylpyrimidine

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2-[3-(4,6-Dimethylpyrimidin-2-yl)-5,9-dimethyl-6,8-diphenylpyren-1-yl]-4,6-dimethylpyrimidine
• 英文别名: 2-[3-(4,6-dimethylpyrimidin-2-yl)-5,9-dimethyl-6,8-diphenylpyren-1-yl]-4,6-dimethylpyrimidine
• 化学式: C₄₂H₃₄N₄
• 分子量: 594.7
• InChiKey: HWHCKFVWMFUECF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  46
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Electroluminescent Element, And Light Emitting Device, Display Device And Lighting Device Each Using Organic Electroluminescent Element
  申请人：UDC Ireland Limited

  公开号：US20200203648A1

  公开（公告）日：2020-06-25

  An organic electroluminescent element which has a substrate, a pair of electrodes disposed on this substrate and composed of an anode and a cathode, and at least one organic layer disposed between these electrodes and including a light-emitting layer, and in which a compound expressed by General Formula 1-1 is contained in at least one layer of the aforementioned light-emitting layer(s) exhibits high luminous efficiency, excellent blue color purity, and little change in chromaticity accompanying drive deterioration. (R 1 to R 10 [each] represent a hydrogen atom or a substituent, and at least one of R 1 to R 10 is a substituent expressed by General Formula 1-2; however, a pyrene skeleton is never contained in R 1 to R 10 ; the asterisk indicates the bonding position with a pyrene ring; X 1 to X 5 [each] represent a carbon atom or a nitrogen atom, and at least one of X 1 to X 5 is a nitrogen atom; R 11 to R 15 [each] represent a hydrogen atom or a substituent, and at least one of R 11 to R 15 is an alkyl group or a silyl group; however, if X 1 to X 5 represent nitrogen atoms, there is no R 11 to R 15 bonded on these nitrogen atoms.)

  具有基板、一对电极（位于该基板上，由阳极和阴极组成）、以及至少一个有机层（位于这些电极之间，包括一个发光层）的有机电致发光元件，其中至少一个上述发光层中含有一种由通用式1-1表达的化合物，表现出高发光效率、优异的蓝色纯度，以及在驱动恶化过程中伴随色度变化很小。（R1至R10[每个]代表氢原子或取代基，R1至R10中至少有一个是由通用式1-2表达的取代基；但是，R1至R10中绝不含有吡啶骨架；星号表示与吡啶环的结合位置；X1至X5[每个]代表碳原子或氮原子，X1至X5中至少有一个是氮原子；R11至R15[每个]代表氢原子或取代基，R11至R15中至少有一个是烷基或硅基；但是，如果X1至X5代表氮原子，则这些氮原子上没有R11至R15结合。）
• ORGANIC ELECTROLUMINESCENT ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND LIGTH EMITTING DEVICE, DISPLAY DEVICE AND LIGHTING DEVICE EACH USING ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：Kitamura Tetsu

  公开号：US20140203252A1

  公开（公告）日：2014-07-24

  An organic electroluminescent element which has a substrate, a pair of electrodes disposed on this substrate and composed of an anode and a cathode, and at least one organic layer disposed between these electrodes and including a light-emitting layer, and in which a compound expressed by General Formula 1-1 is contained in at least one layer of the aforementioned light-emitting layer(s) exhibits high luminous efficiency, excellent blue color purity, and little change in chromaticity accompanying drive deterioration. (R 1 to R 10 [each] represent a hydrogen atom or a substituent, and at least one of R 1 to R 10 is a substituent expressed by General Formula 1-2; however, a pyrene skeleton is never contained in R 1 to R 10 ; the asterisk indicates the bonding position with a pyrene ring; X 1 to X 5 [each] represent a carbon atom or a nitrogen atom, and at least one of X 1 to X 5 is a nitrogen atom; R 11 to R 15 [each] represent a hydrogen atom or a substituent, and at least one of R 11 to R 15 is an alkyl group or a silyl group; however, if X 1 to X 5 represent nitrogen atoms, there is no R 11 to R 15 bonded on these nitrogen atoms.)