2,2',7,7'-tetrakis(N-phenothiazylo)-9,9'-spirobifluorene

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,2',7,7'-tetrakis(N-phenothiazylo)-9,9'-spirobifluorene
• 英文别名: 10-[2',7,7'-Tri(phenothiazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenothiazine；10-[2',7,7'-tri(phenothiazin-10-yl)-9,9'-spirobi[fluorene]-2-yl]phenothiazine
• 化学式: C₇₃H₄₄N₄S₄
• 分子量: 1105.44
• InChiKey: YNYYYRVGAGPLQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.9
• 重原子数：
  81
• 可旋转键数：
  4
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.01
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  吩噻嗪 、 2,2',7,7'-四溴-9,9'-螺二芴 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium tert-butylate 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以83%的产率得到2,2',7,7'-tetrakis(N-phenothiazylo)-9,9'-spirobifluorene
  参考文献：
  名称：

  基于螺芳基单元的共轭小分子半导体材料及其制备和应用

  摘要：

  本发明公开了一类基于螺芳基单元的共轭小分子半导体材料及其制备和应用。其结构如通式(Ⅰ)所示：Ar表示芳基、杂环芳基中的苯、噻吩、萘、苯并噻吩一种或两种，X为硫原子、氧原子、硒原子、碳原子中的一种，R1、R2分别是氢原子、直链烷基、支链烷基、直链烷氧基、支链烷氧基、酯基中的一种，或是直链烷氧基、支链烷氧基中的一种；本发明通过Buchwald偶联反应或Ullmann偶联反应制备合成；该类材料具有良好的溶解性、热稳定性和成膜性，具有较高的载流子迁移率以及高达7.22％的半透明钙钛矿太阳能电池光电转换效率。有望在有机太阳能电池、有机发光二极管、钙钛矿太阳能电池等有机光电器件获得广泛应用。

  公开号：

  CN109651292A

文献信息

• [EN] SPIROBIFLUORENE COMPOUNDS FOR LIGHT EMITTING DEVICES<br/>[FR] COMPOSÉS DE SPIROBIFLUORÈNE POUR DISPOSITIFS ÉLECTROLUMINESCENTS
  申请人：SOLVAY

  公开号：WO2013045411A1

  公开（公告）日：2013-04-04

  Novel spirobifluorene compounds for light emitting devices where the spirobifluorene ring system comprises at least one acridine-type substituent.

  新型螺联苯衍生物，用于发光装置，其中螺联苯环系统包含至少一个吖啶类取代基。
• Spirobifluorene compounds for light emitting devices
  申请人：SOLVAY SA

  公开号：EP2574608A1

  公开（公告）日：2013-04-03

  Novel spirobifluorene compounds for light emitting devices where the spirobifluorene ring system comprises at least one ligand in meta-position which is bound to the spirobifluorene through a heteroatom not being part of a ring system

  用于发光装置的新型螺联苯化合物，其中螺联苯环系统包含至少一个在间位上结合到螺联苯上的配体，该配体通过一个异原子与螺联苯结合，该异原子不属于一个环系统。
• Effects of core moiety and substituted positions in phenothiazine-based hole transporting materials towards high thermal stability and good hole mobility
  作者：Xiaozhong Liang、Chao Wang、Min Wu、Yuezhen Wu、Fang Zhang、Zhaoxiang Han、Xiaoqing Lu、Kunpeng Guo、Yu-Ming Zhao

  DOI：10.1016/j.tet.2017.11.003

  日期：2017.12

  Two hole transporting materials (HTMs), SFX-PT1 and SFX-P12, were designed and synthesized by combing a spiro[fluorene-9, 9'-xanthenel (SFX) core with tetra- phenothiazine substituted at the 2,2',7,7'-and 2,3',6,'7-positions, respectively. As comparison, a HTM with tetra-phenothiazine substituted at the 2,2',7,7'-positions of a 9, 9'-spirobifluorene core (Spiro-PT) was also synthesized. Their photo physical and electrochemical properties, thermal stability and hole mobility were investigated. It was demonstrated that SFX-centered HTMs exhibited superior Stokes shift, thermal stability and hole mobility than those of Spiro-PT. Combining with the substituted positions modification, SFX-PFI has the largest Stokes shift of 197 nm, the highest decomposition temperature of 435 degrees C and hole mobility of 2.08 x 10(-3) cm(2)V(-1)S(-1). Moreover, the energy levels of the HTMs were matched very well with that of CH3NH3PbI3. Our results indicated that SFX-centered, phenothiazole substituted HTMs might be potential candidates for efficient perovskite solar cells. (C) 2017 Elsevier Ltd. All rights reserved.
• SPIROBIFLUORENE COMPOUNDS FOR LIGHT EMITTING DEVICES
  申请人：Sumitomo Chemical Co., Ltd.

  公开号：EP2760846B1

  公开（公告）日：2017-04-26
• [EN] SPIROBIFLUORENE COMPOUNDS FOR LIGHT EMITTING DEVICES<br/>[FR] COMPOSÉS DE SPIROBIFLUORÈNE POUR DISPOSITIFS ÉMETTEURS DE LUMIÈRE
  申请人：SOLVAY

  公开号：WO2013045410A1

  公开（公告）日：2013-04-04

  Novel spirobifluorene compounds for light emitting devices where an SBF or Open SBF unit is substituted by a nitrogen atom, which is part of a ring system comprising two aromatic or heteroaromatic rings.