2,5,8-tris(4-fluoro-3-methylphenyl)-1,3,4,6,7,9,9b-heptaazaphenalene | 1256354-18-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,5,8-tris(4-fluoro-3-methylphenyl)-1,3,4,6,7,9,9b-heptaazaphenalene
• 英文别名: 3,7,11-Tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
• CAS: 1256354-18-3
• 化学式: C₂₇H₁₈F₃N₇
• 分子量: 497.482
• InChiKey: NCZORBSCYVMHOE-UHFFFAOYSA-N

物化性质

• 沸点：
  585.1±60.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  77.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氟甲苯 、 2,5,8-三氯-七氮杂非那烯 在 aluminum (III) chloride 作用下， 反应 7.5h， 以60%的产率得到2,5,8-tris(4-fluoro-3-methylphenyl)-1,3,4,6,7,9,9b-heptaazaphenalene
  参考文献：
  名称：

  Highly efficient exciplex organic light-emitting diodes incorporating a heptazine derivative as an electron acceptor

  摘要：

  开发了高效的复合物系统，其中包括一个七氮杂环衍生物（HAP-3MF）作为电子受体和1,3-二(9H-咔唑-9-基)苯（mCP）作为电子给体。

  DOI：

  10.1039/c4cc01590h

文献信息

• [EN] HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE<br/>[FR] DÉRIVÉS D'HEPTAAZAPHÉNALÈNE ET LEUR UTILISATION DANS DES DISPOSITIFS ÉLECTROLUMINESCENTS ORGANIQUES
  申请人：COMMW SCIENT IND RES ORG

  公开号：WO2010132953A1

  公开（公告）日：2010-11-25

  The present invention relates to an organic electroluminescent device comprising a pair of electrodes forming an anode and cathode, and one or more layers of organic compound arranged between the pair of electrodes, wherein the organic compound layer comprises heptaazaphenalene derivatives of formula (1). The present invention also relates to the said compounds.

  本发明涉及一种有机电致发光器件，包括形成阳极和阴极的一对电极，以及排列在电极对之间的一个或多个有机化合物层，其中有机化合物层包括式（1）的七氮杂苯衍生物。本发明还涉及该化合物。
• ORGANIC ELECTROLUMINESCENT DEVICE AND MANUFACTURING METHOD THEREOF
  申请人：Kunshan Go-Visionox Opto-Electronics Co., Ltd.

  公开号：EP3312897A1

  公开（公告）日：2018-04-25

  Disclosed is an organic electroluminescent device, comprising a substrate and light emitting units formed in sequence on the substrate, characterized in that, each of the light emitting units comprises a first electrode layer (1), a light emitting layer (2) and a second electrode layer (3), the light emitting layer comprises a host material and a dye, the host material is made of materials having both electron transport capability and hole transport capability; at least one material in the host material has a CT excited triplet state energy level T1 greater than its n-π excited triplet state energy level S1, and T1-S1 ≤ 0.3eV; or, at least one material in the host material has a CT excited triplet state energy level T1 greater than its n-π excited triplet state energy level S1, and T1-S1 ≥ 1eV, with the difference between its n-π excited second triplet state energy level and its CT excited first singlet state energy level being in the range of -0.1eV to 0.1eV. The organic electroluminescent device configuration can sufficiently utilize the triplet state energy in the host material and the dye to increase the luminous efficiency and prolong the service life of the device.

  公开了一种有机电致发光器件，包括基底和在基底上依次形成的发光单元，其特征在于，每个发光单元包括第一电极层（1）、发光层（2）和第二电极层（3），发光层包括宿主材料和染料，宿主材料由同时具有电子传输能力和空穴传输能力的材料制成；宿主材料中至少有一种材料的 CT 激发三重态能级 T1 大于其 n-π 激发三重态能级 S1，且 T1-S1 ≤ 0.3eV；或者，宿主材料中至少一种材料的CT激发三重态能级T1大于其n-π激发三重态能级S1，且T1-S1≥1eV，其n-π激发第二三重态能级与CT激发第一单重态能级之差在-0.1eV至0.1eV范围内。这种有机电致发光器件结构可以充分利用主材料和染料中的三重态能量，从而提高发光效率并延长器件的使用寿命。
• HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：Macdonald James Matthew

  公开号：US20120091884A1

  公开（公告）日：2012-04-19

  The present invention relates to an organic electroluminescent device comprising a pair of electrodes forming an anode and cathode, and one or more layers of organic compound arranged between the pair of electrodes, wherein the organic compound layer comprises heptaazaphenalene derivatives of formula (1). The present invention also relates to the said compounds.
• ORGANIC LIGHT-EMITTING DEVICE
  申请人：KYULUX, INC.

  公开号：US20170229658A1

  公开（公告）日：2017-08-10

  An organic light-emitting device containing a compound having a lone electron pair and a π electron orbital, the compound emitting fluorescent light by such a mechanism that when at least apart of electrons constituting the lone electron pair is excited to an excited triplet state 3 nπ* through nπ* transition, the part of electrons undergoes inverse intersystem crossing from the excited triplet state 3 nπ* to an excited singlet state 1 nπ*, and returns from the excited singlet state 1 nπ* to the ground state, at which the fluorescent light is emitted. The organic light-emitting device has a high light emission efficiency.