1-phenyl-2,4-di(benzo[b]thieno)bismole | 1239474-59-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 1-phenyl-2,4-di(benzo[b]thieno)bismole
• 英文别名: 11-Phenyl-3,19-dithia-11-bismapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
• CAS: 1239474-59-9
• 化学式: C₂₂H₁₃BiS₂
• 分子量: 550.458
• InChiKey: MQHKEEXKCIWSMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.61
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,3'-二溴-2,2'-双苯并[B]噻吩 在 n-BuLi 、 PhBiX₂ 作用下， 以 not given 为溶剂， 以20%的产率得到1-phenyl-2,4-di(benzo[b]thieno)bismole
  参考文献：
  名称：

  Synthesis of Dithienobismoles as Novel Phosphorescence Materials

  摘要：

  Dithienobismoles having a bismole ing fused with a bithrophene system were prepared by the 'cocoons of beta,beta'-dilithiobithiophenes with aryldihalobismuthanes, as novel phosphorescence materials

  DOI：

  10.1021/om100560n

文献信息

• THIN FILM AND COMPOUND USED IN THE SAME
  申请人：Ohshita Joji

  公开号：US20130001472A1

  公开（公告）日：2013-01-03

  To provide a novel material exhibiting excellent light-emitting characteristics using a heavy metal element having relatively abundant reserve. A thin film containing a compound of Formula (1): wherein Ar 1 and Ar 2 are each independently a C 3-30 aromatic ring; R 1 and R 2 are a substituent; a and b are each independently an integer of 0 to 12, wherein when a is 2 or more, each R 1 is optionally different from each other and two R 1 are optionally bonded with each other to form a ring structure, and when b is 2 or more, each R 2 is optionally different from each other and two R 2 are optionally bonded with each other to form a ring structure; A 1 is any of direct bond, —O—, —S—, —S(═O)—, —S(═O) 2 —, —PR 3 —, —NR 4 —, and —C(—R 5 ) 2 —; R 3 is a hydrogen atom or a substituent; R 4 is a hydrogen atom or a substituent; R 5 is a hydrogen atom or a substituent and two R 5 are optionally different from each other; E 1 is a monovalent group having 50 or less carbon atoms; L 1 is a ligand having 50 or less carbon atoms; c is an integer of 0 to 3, wherein when c is 2 or more, each L 1 is optionally different from each other; and each combination of a combination of E 1 and Ar 1 and a combination of E 1 and Ar 2 optionally forms a bond; and when c is 1 to 3, each combination of a combination of L 1 and E 1 , a combination of L 1 and Ar 1 , a combination of L 1 and Ar 2 , and a combination of L 1 and L 1 optionally forms a bond.

  提供一种使用相对丰富的重金属元素制备出具有优异发光特性的新型材料。所述薄膜包含式（1）的化合物：其中Ar1和Ar2各自独立为C3-30芳香环；R1和R2为取代基；a和b各自独立为0至12的整数，当a为2或更多时，每个R1可选择不同，两个R1可选择相互连接形成环状结构；当b为2或更多时，每个R2可选择不同，两个R2可选择相互连接形成环状结构；A1为直接键，-O-，-S-，-S(═O)-，-S(═O)2-，-PR3-，-NR4-和-C(—R5)2-中的任意一种；R3为氢原子或取代基；R4为氢原子或取代基；R5为氢原子或取代基，两个R5可选择不同；E1为具有50个或更少碳原子的一价基团；L1为具有50个或更少碳原子的配体；c为0至3的整数，当c为2或更多时，每个L1可选择不同；当c为1至3时，每个L1和E1的组合，每个L1和Ar1的组合，每个L1和Ar2的组合，以及每个L1和L1的组合可选择相互连接。