ethyl (2Z)-2-[(10E)-10-(3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-ylidene)-7,17-difluoro-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-20-ylidene]-3,3,3-trifluoropropanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ethyl (2Z)-2-[(10E)-10-(3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-ylidene)-7,17-difluoro-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-20-ylidene]-3,3,3-trifluoropropanoate
• 化学式: C₂₉H₁₇F₈NO₄
• 分子量: 595.4
• InChiKey: YHYXXIXHRSOVFO-JKZRTEGISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  13

文献信息

• COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20160197288A1

  公开（公告）日：2016-07-07

  A compound represented by formula (1): wherein *a, *b, R 1 , X 1 , L 1 , L 2 , n, A 1 , and A 2 are as defined in the description, and a production method of the compound represented by formula (1) are provide. In the production method, A 1 is introduced under a reaction condition in which the reactivity of Hal 2 in a compound represented by formula (I): wherein *c, *d, R 1 , X 1 , L 1 , L 2 , n, A 1 , A 2 , Hal 1 , and Hal 2 are as defined in the description, is extremely low as compared with that of Hal 1 and then A 2 which is different from A 1 is introduced under a reaction condition in which the reactivity of Hal 2 is high. The compound represented by formula (1) is formed into a layer by a coating method and meets various performance requirements of an organic EL device.

  公式（1）所表示的化合物：其中*a，*b，R1，X1，L1，L2，n，A1和A2的定义如说明书中所定义，并且提供了化合物（1）的生产方法。在生产方法中，A1在反应条件下引入，其中在化合物（I）所表示的卤素2的反应性在Hal1相比下极低，其中* c，* d，R1，X1，L1，L2，n，A1，A2，Hal1和Hal2的定义如说明书中所定义，然后在Hal2的反应性高的反应条件下引入不同于A1的A2。化合物（1）通过涂覆方法形成一层，并满足有机EL器件的各种性能要求。
• Compound, organic electroluminescence element material, ink composition, organic electroluminescence element, electronic device, and method for producing compound
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US10032991B2

  公开（公告）日：2018-07-24

  A compound represented by formula (1): wherein *a, *b, R1, X1, L1, L2, n, A1, and A2 are as defined in the description, and a production method of the compound represented by formula (1) are provide. In the production method, A1 is introduced under a reaction condition in which the reactivity of Hal2 in a compound represented by formula (I): wherein *c, *d, R1, X1, L1, L2, n, A1, A2, Hal1, and Hal2 are as defined in the description, is extremely low as compared with that of Hal1 and then A2 which is different from A1 is introduced under a reaction condition in which the reactivity of Hal2 is high. The compound represented by formula (1) is formed into a layer by a coating method and meets various performance requirements of an organic EL device.

  式 (1) 所代表的化合物： 其中 *a、*b、R1、X1、L1、L2、n、A1 和 A2 如说明中所定义，并提供了式 (1) 所代表化合物的生产方法。在该生产方法中，A1 是在 Hal2 在式 (I) 所代表化合物中的反应活性的反应条件下引入的： 其中 *c、*d、R1、X1、L1、L2、n、A1、A2、Hal1 和 Hal2 如说明中所定义、 与 Hal1 的反应活性相比，Hal2 的反应活性极低，然后在 Hal2 反应活性较高的反应条件下引入与 A1 不同的 A2。式（1）表示的化合物通过涂层方法形成一层，可满足有机电致发光器件的各种性能要求。
• Organic electroluminescent element
  申请人：Sony Corporation

  公开号：US10411212B2

  公开（公告）日：2019-09-10

  An organic electroluminescence device including: an anode; a cathode; two or more emitting units that are disposed between the anode and the cathode, each unit having an emitting layer; and a charge-generating layer that is disposed between the emitting units, wherein the charge-generating layer comprises an N layer nearer to the anode and a P layer nearer to the cathode, and the P layer comprises a compound represented by the following formula (I).

  一种有机电致发光器件，包括：一个阳极；一个阴极；两个或两个以上设置在阳极和阴极之间的发光单元，每个单元都有一个发光层；以及一个设置在发光单元之间的电荷发生层，其中电荷发生层包括一个靠近阳极的 N 层和一个靠近阴极的 P 层，P 层包括下式 (I) 所代表的化合物。
• Organic electroluminescent device
  申请人：JOLED INC

  公开号：US10573823B2

  公开（公告）日：2020-02-25

  An organic electroluminescence device including: an anode; a cathode; two or more emitting units that are disposed between the anode and the cathode, each unit having an emitting layer; and a charge-generating layer that is disposed between the emitting units, wherein the charge-generating layer includes an N layer nearer to the anode and a P layer nearer to the cathode, and the N layer includes a compound represented by the following formula (I) or (II):

  一种有机电致发光器件，包括：一个阳极；一个阴极；两个或两个以上设置在阳极和阴极之间的发光单元，每个单元都有一个发光层；以及一个设置在发光单元之间的电荷发生层，其中电荷发生层包括一个靠近阳极的 N 层和一个靠近阴极的 P 层，N 层包括下式（I）或（II）所代表的化合物：
• Compound, organic electroluminescent element material using same, organic electroluminescent element using this material, and electronic device
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US10763442B2

  公开（公告）日：2020-09-01

  A compound having a structure wherein at least 8-position or 9-position of fluoranthene is replaced by a nitrogen atom, a material for organic electroluminescence devices including the compound, and an organic electroluminescence device and an electronic equipment each including the material are provided. The compound is represented by formula (1): wherein A represents CR0 or N; R0 to R8 each independently represent a hydrogen atom or a substituent; at least one selected from R0 to R8 represents a substituent other than hydrogen atom; and groups selected from R0 to R8 which are bonded to adjacent carbon atoms may be bonded to each other to form a saturated or unsaturated ring structure.

  本发明提供了一种具有氟蒽至少 8 位或 9 位被氮原子取代的结构的化合物、一种包括该化合物的有机电致发光器件材料，以及一种包括该材料的有机电致发光器件和一种电子设备。该化合物由式（1）表示： 其中 A 代表 CR0 或 N；R0 至 R8 各自独立地代表氢原子或取代基；从 R0 至 R8 中选出的至少一个代表氢原子以外的取代基；从 R0 至 R8 中选出的与相邻碳原子键合的基团可相互键合以形成饱和或不饱和环结构。