2,2',7,7'-四(二苯氨基)-9,9'-螺二[9H-芴] | 189363-47-1

• 物质功能分类: 材料化学 - 发光材料
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2,2',7,7'-四(二苯氨基)-9,9'-螺二[9H-芴]
• 英文名称: 2,2',7,7'-tetrakis(diphenylamino)-9,9'-spirobifluorene
• 英文别名: 2,2’,7,7’-tetrakis(N,N’-di-p-methoxyphenylamine)-9,9’-spirobifluorene；N²,N²,N^2',N^2',N⁷,N⁷,N^7',N^7'-octaphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetraamine；Spiro-TAD；2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
• CAS: 189363-47-1
• 化学式: C₇₃H₅₂N₄
• 分子量: 985.243
• InChiKey: MQRCTQVBZYBPQE-UHFFFAOYSA-N

物化性质

• 熔点：
  133℃
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  19.3
• 重原子数：
  77
• 可旋转键数：
  12
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.01
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• WGK Germany：
  3
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2,2',7,7'-四(二苯氨基)-9,9'-螺二[9H-芴] 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 为溶剂， 以98.8 %的产率得到2,2',7,7'-tetrakis(N,N-di-p-bromophenylamino)-9,9'-spirobifluorene
  参考文献：
  名称：

  JP2022/180433

  摘要：

  公开号：
• 作为产物：
  描述：

  2,2',7,7'-四溴-9,9'-螺二芴 、 二苯胺 在 三叔丁基膦 、 palladium diacetate 、 sodium t-butanolate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 以77 %的产率得到2,2',7,7'-四(二苯氨基)-9,9'-螺二[9H-芴]
  参考文献：
  名称：

  JP2022/180433

  摘要：

  公开号：

文献信息

• Ketopyrroles useful as ligands in organic iridium compositions
  申请人：Chichak Kelly Scott

  公开号：US20080027028A1

  公开（公告）日：2008-01-31

  The present invention provides novel ketopyrroles having structure XXIV wherein R 2 is independently at each occurrence a deuterium atom, a halogen, a nitro group, an amino group, a C 3 -C 40 aromatic radical, a C 1 -C 50 aliphatic radical, or a C 3 -C 40 cyclcoaliphatic radical; “a” is an integer from 0 to 3; and X 1 and X 2 are independently at each occurrence a bromine atom, a hydroxy group, or the group OR 10 , and wherein the group R 10 is independently at each occurrence a deuterium atom, a halogen, a nitro group, an amino group, a C 3 -C 40 aromatic radical, a C 1 -C 50 aliphatic radical, or a C 3 -C 40 cyclcoaliphatic radical. Ketopyrroles XXIV are useful ligands for the preparation of Type (1) and Type (2) organic iridium compositions. In one aspect, the present invention provides deuterated analogs of XXIV. Organic iridium compositions are useful in the preparation optoelectronic devices, such as OLED devices and photovoltaic devices exhibiting enhanced performance characteristics.

  本发明提供了具有结构XXIV的新型酮吡咯，其中R2在每次出现时独立地是氘原子、卤素、硝基、氨基、C3-C40芳香基、C1-C50脂肪基或C3-C40环脂基；“a”是从0到3的整数；X1和X2在每次出现时独立地是溴原子、羟基或基团OR10，其中基团R10在每次出现时独立地是氘原子、卤素、硝基、氨基、C3-C40芳香基、C1-C50脂肪基或C3-C40环脂基。酮吡咯XXIV是用于制备类型（1）和类型（2）有机铱配合物的有用配体。在一个方面，本发明提供了XXIV的氘代物。有机铱配合物在制备光电子器件方面很有用，例如OLED器件和光伏器件，表现出增强的性能特征。
• NOVEL HETEROLEPTIC IRIDIUM COMPLEXE
  申请人：Ma Bin

  公开号：US20130181190A1

  公开（公告）日：2013-07-18

  Novel heteroleptic iridium complexes are disclosed. The complexes contain a phenyl pyridine ligand and another ligand containing a dibenzofuran, dibenzothiophene, dibenzoselenophene, or carbazole linked to an imidazole or benzimidazole fragment. These complexes are useful materials when incorporated into OLED devices.

  披露了新型的异配位铱络合物。这些络合物含有一个苯基吡啶配体和另一个含有二苯并呋喃、二苯并噻吩、二苯并硒吩或咔唑的配体，该配体与咪唑或苯并咪唑片段相连。当这些络合物被纳入OLED设备时，它们是有用的材料。
• COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING ELEMENT
  申请人：Kyushu University, National University Corporation

  公开号：EP2808323A1

  公开（公告）日：2014-12-03

  A compound represented by the general formula (1) is useful as a light-emitting material. In the general formula (1), Ar1 to Ar3 represent an aryl group, provided that at least one thereof represents an aryl group substituted by a group represented by the general formula (2). In the general formula (2), R1 to R8 represent a hydrogen atom or a substituent; Z represents O, S, O=C or Ar4-N; and Ar4 represents an aryl group.

  通式（1）所代表的化合物作为发光材料是有用的。在通式（1）中，Ar1至Ar3代表芳基，前提是其中至少一个代表被通式（2）所代表的基团取代的芳基。在通式（2）中，R1至R8代表氢原子或取代基；Z代表O、S、O=C或Ar4-N；Ar4代表芳基。
• IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING THE COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE COMPOUND, DISPLAY DEVICE, AND ILLUMINATION DEVICE
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：US20200317706A1

  公开（公告）日：2020-10-08

  Provided is an iridium complex compound represented by formula (1) below. [Ir is an iridium atom. C 1 to C 6 are carbon atoms. N 1 and N 2 are nitrogen atoms. R 1 to R 4 are each a hydrogen atom or a substituent. a to d are maximum integer numbers of possible substituents on rings Cy 1 to Cy 4 , respectively. m and n are each 1 or 2, and m+n=3. The ring Cy 1 is represented by formula (2) or (2′) below. The ring Cy 3 is an aromatic or heteroaromatic ring including the carbon atoms C 4 and C 5 . The ring Cy 4 is a heteroaromatic ring including the carbon atom C 6 and the nitrogen atom N 2 .]

  提供的铱配合物化合物的化学式如下所示。 [Ir 代表铱原子。C1到C6代表碳原子。N1和N2代表氮原子。R1到R4分别代表氢原子或取代基。a到d分别代表环Cy1到Cy4上可能的取代基的最大整数个数。m和n分别为1或2，且m+n=3。环Cy1的化学式如下所示。环Cy3是包括碳原子C4和C5的芳香或杂芳环。环Cy4是包括碳原子C6和氮原子N2的杂芳环。]
• SUBSTITUTED CARBAZOLE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTRONICS
  申请人：Langer Nicolle

  公开号：US20110266528A1

  公开（公告）日：2011-11-03

  An organic light-emitting diode, organic solar cell or switching element comprising at least one substituted carbazole derivative of the general formula (I), (II) or (III) in which X is NR 4 , O, S or PR 4 ; Y is NR 5 , O, S or PR 5 ; where at least one of the symbols X and Y is NR 4 or NR 5 ; substituted carbazole derivatives of the formula (I), (II) or (III); a light-emitting layer comprising at least one substituted carbazole derivative of the general formula (I), (II) or (III) and at least one emitter material; the use of substituted carbazole derivatives of the general formula (I), (II) or (Ill) as matrix material, hole/exciton blocker material and/or electron/exciton blocker material and/or hole injection material and/or electron injection material and/or hole conductor material and/or electron conductor material in an organic light-emitting diode, an organic solar cell or in a switching element, and a device selected from the group consisting of stationary visual display units, mobile visual display units, illumination units, keyboards, garments, furniture and wallpaper comprising at least one inventive organic light-emitting diode.

  一种有机发光二极管、有机太阳能电池或开关元件，包括至少一种通式（I）、（II）或（III）的取代咔唑衍生物，其中X为NR4、O、S或PR4；Y为NR5、O、S或PR5；其中至少一个符号X和Y为NR4或NR5；通式（I）、（II）或（III）的取代咔唑衍生物；包括至少一种通式（I）、（II）或（III）的取代咔唑衍生物和至少一种发射材料的发光层；使用通式（I）、（II）或（III）的取代咔唑衍生物作为基质材料、空穴/激子阻挡材料和/或电子/激子阻挡材料和/或空穴注入材料和/或电子注入材料和/或空穴导体材料和/或电子导体材料在有机发光二极管、有机太阳能电池或开关元件中的使用，以及选自固定视觉显示单元、移动视觉显示单元、照明单元、键盘、服装、家具和包括至少一种创新有机发光二极管的壁纸的设备。