1,1-bis[4-(N,N-diphenyl)aminophenyl]cyclohexane | 145024-29-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,1-bis[4-(N,N-diphenyl)aminophenyl]cyclohexane
• 英文别名: N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]aniline
• CAS: 145024-29-9
• 化学式: C₄₂H₃₈N₂
• 分子量: 570.777
• InChiKey: UDYREAXKUIATRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  碘苯 、 1,1-双(4-氨基苯基)环己烷 在 18-冠醚-6 、 铜 、 potassium carbonate 作用下， 以 邻二氯苯 为溶剂， 反应 20.0h， 以64%的产率得到1,1-bis[4-(N,N-diphenyl)aminophenyl]cyclohexane
  参考文献：
  名称：

  Influence of methoxy groups on the properties of 1,1-bis(4-aminophenyl)cyclohexane based arylamines: experimental and theoretical approach

  摘要：

  合成了三种新型异构体的环己烯基连接的三苯胺，这些化合物在不同位置含有甲氧基。它们通过乌尔曼耦合从1,1-双（4-氨基苯基）环己烷和相应的芳基碘化物合成。研究了所获得材料的热行为、光学和光电属性。还基于密度泛函理论（DFT）进行了计算，以更好地理解结构-性质关系。与不含甲氧基的相应衍生物相比，1,1-双（4-氨基苯基）环己烷的甲氧基取代衍生物显示出较低的电离势和较高的空穴漂移迁移率。采用电子光发射技术确定的甲氧基取代化合物的固体样品电离势范围为5.34–5.55 eV。在106 V cm−1电场下，采用飞行时间技术确定的甲氧基取代材料的非晶态层的空穴漂移迁移率值介于4.0 × 10−4至1.2 × 10−3 cm2 V−1 s−1之间。对位取代衍生物的空穴迁移率最高。理论结果表明，块体材料中的空穴迁移率受电子耦合参数的驱动，而重组能量参数则预测了错误的迁移率趋势。发现甲氧基的作用与众所周知的共振（π-供体）效应有关，并且能够形成C–H⋯π（苯）和C–H⋯X（X = O, N）氢键。详细讨论了这些属性对对位甲氧基取代化合物的增强斯托克斯位移、与不取代化合物相比甲氧基取代化合物电离势的降低，以及在相邻分子之间建立显著电子耦合的增强可能性所产生的影响。

  DOI：

  10.1039/c2jm14387a

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。
• Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Organometallic Complex
  申请人：Inoue Hideko

  公开号：US20080312437A1

  公开（公告）日：2008-12-18

  According to the present invention, a wider variation of organometallic complexes that can emit phosphorescence can be provided by applying, as a ligand, an organic compound from which a variety of derivatives can be easily synthesized. In particular, an organometallic complex having a sharp emission spectrum is provided. Further, an organometallic complex having high emission efficiency is provided. An organometallic complex represented by the general formula (G1) is provided. In the formula, Ar represents an aryl group, R represents an alkoxy group having 1 to 4 carbon atoms, and R 1 and R 2 individually represent either hydrogen or an alkyl group having 1 to 4 carbon atoms.

  根据本发明，通过应用一种作为配体的有机化合物，可以提供更广泛的能够发射磷光的有机金属配合物变体，从而可以轻松合成各种衍生物。特别地，提供了具有尖锐发射光谱的有机金属配合物。此外，提供了具有高发射效率的有机金属配合物。提供了由通式（G1）表示的有机金属配合物。在该式中，Ar代表芳基，R代表具有1至4个碳原子的烷氧基，R1和R2分别表示氢或具有1至4个碳原子的烷基。
• Organometallic complex, and light-emitting element and light-emittting device using the same
  申请人：Inoue Hideko

  公开号：US20070085073A1

  公开（公告）日：2007-04-19

  It is an object of the present invention to provide an organometallic complex that can emit phosphorescence. In the following general formula (G1), X represents —O— or —N(R 10 )—. R 1 to R 9 each represent any of hydrogen, an alkyl group or a cycloalkyl group having 1 to 6 carbon atoms, an alkoxy group having 1 to 6 carbon atoms, an alkoxycarbonyl group having 1 to 6 carbon atoms, an acyl group having 1 to 6 carbon atoms, an acyloxy group having 1 to 6 carbon atoms, a halogen group, a haloalkyl group, and an aryl group having 6 to 12 carbon atoms. In addition, R 10 represents any of an alkyl group or a cycloalkyl group having 1 to 6 carbon atoms, an acyl group having 1 to 6 carbon atoms, an aryl group having 6 to 12 carbon atoms, and a heteroaryl group having 4 to 10 carbon atoms. Moreover, M represents an element belonging to Group 9 or 10.

  本发明的目的是提供一种可以发射磷光的有机金属配合物。在下面的一般式（G1）中，X代表—O—或—N(R10)—。R1到R9分别代表氢、1至6个碳原子的烷基或环烷基，1至6个碳原子的烷氧基，1至6个碳原子的烷氧羰基，1至6个碳原子的酰基，1至6个碳原子的酰氧基，卤素基，卤代烷基，以及6至12个碳原子的芳基中的任意一种。此外，R10代表1至6个碳原子的烷基或环烷基，1至6个碳原子的酰基，6至12个碳原子的芳基，以及4至10个碳原子的杂芳基中的任意一种。此外，M代表属于第9或第10族元素。
• Triazole Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device
  申请人：Nomura Hiroko

  公开号：US20090160324A1

  公开（公告）日：2009-06-25

  A substance having high excitation energy is provided. In particular, a substance having high triplet excitation energy is provided. Further, a light-emitting element, a light-emitting device, and an electronic device each having high emission efficiency and low driving voltage are provided. A triazole derivative to which an amino group is bonded is provided. In addition, a light-emitting element, a light-emitting device, and an electronic device each including the triazole derivative to which the amino group is bonded are provided.

  提供一种具有高激发能量的物质。特别地，提供一种具有高三重激发能量的物质。此外，提供具有高发射效率和低驱动电压的发光元件、发光装置和电子设备。提供一种氨基团结合的三唑衍生物。此外，提供包括氨基团结合的三唑衍生物的发光元件、发光装置和电子设备。
• Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative
  申请人：Nomura Hiroko

  公开号：US20100079066A1

  公开（公告）日：2010-04-01

  A novel triazole derivative which has a large energy gap and can be used for electron-transporting layer of a light-emitting element or as a host material. In addition, a light-emitting element which has higher emission efficiency by using the novel triazole derivative. Furthermore, a low power consumption light-emitting device and electronic device. A triazole derivative having a structure represented by the general formula (G1). In the formula, Py represents a pyridyl group. R 11 and R 12 each represent any of hydrogen, an alkyl group having 1 to 4 carbon atoms, an alkoxy group having 1 to 4 carbon atoms, or a phenyl group.

  一种新型三唑衍生物，具有较大的能隙，可用作发光元件的电子传输层或作为主体材料。此外，通过使用这种新型三唑衍生物，可以获得具有更高发射效率的发光元件。此外，还有一种低功耗的发光装置和电子设备。具有通用式（G1）所代表的结构的三唑衍生物。在该式中，Py代表吡啶基。R11和R12分别表示氢、具有1至4个碳原子的烷基基团、具有1至4个碳原子的烷氧基团或苯基中的任意一种。