2,2'-二(4-咔唑基苯基)联苯 | 858131-70-1

• 物质功能分类: 医药中间体 - OLED材料中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,2'-二(4-咔唑基苯基)联苯
• 英文名称: 2,2'-bis(4-carbazolylphenyl)-1,1'-biphenyl
• 英文别名: 2,2'-Bis(4-(carbazol-9-yl)phenyl)-biphenyl；9-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole
• CAS: 858131-70-1
• 化学式: C₄₈H₃₂N₂
• 分子量: 636.795
• InChiKey: UXJDSNKBYFJNDO-UHFFFAOYSA-N

物化性质

• 熔点：
  277℃

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  50
• 可旋转键数：
  5
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  9.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  9-(4-溴苯基)咔唑 、 2,2’-联苯二硼酸 在 四(三苯基膦)钯 、 四丁基氢氧化铵 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 2,2'-二(4-咔唑基苯基)联苯
  参考文献：
  名称：

  Syntheses and Properties of Novel Quarterphenylene-based Materials for Blue Organic Light-emitting Devices

  摘要：

  制备了一系列基于四苯基的化合物，并将其作为有机发光器件（OLEDs）中的空穴传输层和宿主材料进行研究。这些化合物由于扭曲的骨架，具有较宽的HOMO-LUMO能带间隙（约3.57 eV）。在使用铱（III）-双[2-(4,6-二氟苯基)吡啶酸盐-N,C2′]吡啶酸盐（FIrpic）作为发光材料的蓝色有机发光器件中，达到的最大外部效率为17%。

  DOI：

  10.1246/cl.2007.316

文献信息

• BINUCLEAR METAL COMPLEX, AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME
  申请人：Ube Industries, Ltd.

  公开号：EP2647642A1

  公开（公告）日：2013-10-09

  The present invention relates to a novel binuclear metal complex, which has, for example, a biimidazole as a bridging ligand and is useful in particular as a material for an organic electroluminescence element.

  本发明涉及一种新型双核金属配合物，例如具有双咪唑作为桥联配体，并且特别适用作为有机电致发光元件的材料。
• SULFONIC ACID ESTER COMPOUND AND USE THEREFOR
  申请人：NISSAN CHEMICAL CORPORATION

  公开号：US20190169120A1

  公开（公告）日：2019-06-06

  Provided is a sulfonic acid ester compound represented by formula (1). (In the formula, R 1 and R 2 each independently represent a hydrogen atom, or a straight-chain or branched monovalent aliphatic hydrocarbon group. R 3 represents a straight-chain or branched monovalent aliphatic hydrocarbon group. The sum of the carbon numbers of R 1 , R 2 and R 3 is 6 or greater. A 1 represents —O— or —S—. A 2 represents an aromatic group having a valence of (n+1). A 3 represents a hydrocarbon group which has a valence of m, and is unsubstituted or has a substituent that contains one or more aromatic rings. m represents an integer satisfying 2≤m≤4. n represents an integer satisfying 1≤n≤4.)

  提供的是由式（1）表示的磺酸酯化合物。（在该式中，R1和R2分别代表氢原子，或直链或支链的一价脂肪族碳氢基团。R3代表直链或支链的一价脂肪族碳氢基团。R1、R2和R3的碳原子数之和为6或更大。A1代表—O—或—S—。A2代表具有（n+1）价的芳香基团。A3代表具有m价的碳氢基团，未取代或具有含有一个或多个芳香环的取代基。m表示满足2≤m≤4的整数。n表示满足1≤n≤4的整数。）
• ANILINE DERIVATIVE AND USE THEREOF
  申请人：NISSAN CHEMICAL CORPORATION

  公开号：US20210061825A1

  公开（公告）日：2021-03-04

  An aniline derivative represented by formula (1) is provided. [In formula (1), R 1 to R 5 are each independently a hydrogen atom or a group represented by formula (2) or (3) (wherein Ar 1 and Ar 2 each independently represent a C 6-20 aryl group and Ar 3 represents a C 6-20 arylene group, any two of Ar 1 to Ar 3 may be bonded to each other to form a ring in cooperation with the nitrogen atom, R 6 to R 8 each independently represent a C 1-20 alkyl or C 6-20 aryl group optionally substituted by W 1 , and W 1 represents a halogen atom, a nitro group, a C 1-20 alkoxy group, or a cyano group), at least one of R 1 to R 5 being a group represented by formula (3).]

  提供一个由化学式（1）表示的苯胺衍生物。 [在化学式（1）中，R1至R5分别独立地是氢原子或由化学式（2）或（3）表示的基团（其中Ar1和Ar2分别独立地表示C6-20芳基基团，Ar3表示C6-20芳亚基基团，Ar1至Ar3中的任意两个可以与氮原子结合形成环，R6至R8分别独立地表示C1-20烷基或C6-20芳基基团，可选择地被W1取代，W1表示卤素原子、硝基基团、C1-20烷氧基团或氰基），其中至少有一个是由化学式（3）表示的基团。]
• ORGANOSULFUR COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME
  申请人：Kido Junji

  公开号：US20110140044A1

  公开（公告）日：2011-06-16

  Disclosed is an organosulfur compound denoted by a general formula (a1): in which A denotes —S—, —S(O)— or —S(O) 2 —; Z 1 and Z 4 denote a trivalent aromatic hydrocarbon group or the like; Z 2 and Z 3 denote a bivalent aromatic hydrocarbon group or the like; Ar 1 , Ar 2 , Ar 3 and Ar 4 denote an aromatic hydrocarbon group or the like; and n is 0 or 1, or a general formula (b1): in which A denotes the same meaning as aforesaid; Z 5 denotes a trivalent aromatic hydrocarbon group or the like; Ar denotes a m-valent aromatic hydrocarbon group or the like; Ar 1 and Ar 2 denote the aforesaid meaning; and m is 2 or 3. This compound is useful as an electron transport material, a hole blocking material or a host material of an organic electroluminescence element.

  本发明公开了一种有机硫化合物，其通式为（a1）：其中A表示—S—、—S(O)—或—S(O)2—；Z1和Z4表示三价芳香烃基或类似物；Z2和Z3表示二价芳香烃基或类似物；Ar1、Ar2、Ar3和Ar4表示芳香烃基或类似物；n为0或1，或通式为（b1）：其中A表示如上所述的相同含义；Z5表示三价芳香烃基或类似物；Ar表示m价芳香烃基或类似物；Ar1和Ar2表示如上所述的含义；m为2或3。该化合物可用作电子传输材料、阻挡孔洞材料或有机电致发光元件的主体材料。
• Sulfonic acid ester compound and use therefor
  申请人：NISSAN CHEMICAL CORPORATION

  公开号：US10847725B2

  公开（公告）日：2020-11-24

  Provided is an electron-accepting substance precursor comprising a sulfonic acid ester compound represented by formula (1). (In the formula, R1-R4 each independently represent a hydrogen atom, or a straight-chain or branched C1-6 alkyl group. R5 represents a C2-20 monovalent hydrocarbon group which may be substituted. A1 represents —O— or —S—. A2 represents a group having a valence of (n+1) and derived from naphthalene or anthracene. A3 represents a group having a valence of m and derived from perfluorinated biphenyl. m represents an integer satisfying 2≤m≤4. n represents an integer satisfying 1≤n≤4).

  提供的是一种电子受体物质前体，其包括由公式（1）表示的磺酸酯化合物。（在公式中，R1-R4各自独立地表示氢原子或直链或支链C1-6烷基。R5表示可以被取代的C2-20单价碳氢基团。A1表示-O-或-S-。A2表示一个由萘或蒽衍生的具有(n+1)价的基团。A3表示一个由全氟联苯衍生的具有m价的基团。m表示一个满足2≤m≤4的整数。n表示一个满足1≤n≤4的整数。）