1,2-di(9H-carbazol-9-yl)ethane | 25557-82-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1,2-di(9H-carbazol-9-yl)ethane
• 英文别名: 1,2-di(9-carbazol-9-yl)ethane；1,2-di(N-carbazolyl)ethane；1,2-Dicarbazolylethane；9,9'-ethane-1,2-diyl-bis-carbazole；1,2-Di-(9-carbazyl)-ethan；1,2-Dicarbazol-9-yl-ethan；1,2-Di-(9h-carbazol-9-yl)ethane；9-(2-carbazol-9-ylethyl)carbazole
• CAS: 25557-82-8
• 化学式: C₂₆H₂₀N₂
• 分子量: 360.458
• InChiKey: YDRNCHBVQMGEQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  9.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,2-di(9H-carbazol-9-yl)ethane 在 盐酸 、 mercury dichloride 、 锌 、 三氯氧磷 作用下， 以 水 为溶剂， 反应 2.5h， 生成 1,2-di(3-methylcarbazol-9-yl)ethane
  参考文献：
  名称：

  甲基取代基对二咔唑基烷烃与对氯苯醌，四氰基乙烯和四氰基喹二甲烷的电荷转移络合的影响。

  摘要：

  合成了一系列1，n-二咔唑基烷烃和1，n-二（3-甲基咔唑基）烷烃（其中n = 1-5），并确定了其电荷转移（CT）的摩尔消光系数，平衡常数，焓和熵研究了与π-受体对氯苯甲醚，四氰基乙烯和四氰基喹二甲烷的配合物。1，n-二（3-甲基咔唑基）烷烃形成的CT络合物比1，n-二咔唑基烷烃具有更高的平衡常数，更多的负焓和熵。比较了供体分子之一（1,4-二咔唑基丁烷）与所有三个受体的CT复合物的振动光谱。

  DOI：

  10.1016/j.saa.2011.05.047
• 作为产物：
  描述：

  乙烯二甲烷磺酸酯 、 咔唑 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以75%的产率得到1,2-di(9H-carbazol-9-yl)ethane
  参考文献：
  名称：

  Reactions of carbazole with dimethyl alkanedisulfonates

  摘要：

  Reaction of carbazole with dimethyl alkanedisulfonates in the presence of sodium hydride resulted in the formation of three main products: 2-(9H-carbazol-9-yl)alkylmethanesulfonates, 1,2-di-(9H-carbazol-9-yl)alkanes, and 9-alkenyl-9H-carbazoles.

  DOI：

  10.1134/s1070363217070337

文献信息

• White-light emitting dye micelles in aqueous solution
  作者：Xin Zhang、Daniel Görl、Frank Würthner

  DOI：10.1039/c3cc44875d

  日期：——

  Biscarbazole-loaded perylene bisimide (PBI) dye micelles in water afforded a fluorescence resonance energy transfer (FRET)-based white-light emitting nano luminary system with biscarbazoles as energy donors and PBI micelles as acceptors.

  在水中制备的负载双咔唑的芘双酰亚胺（PBI）染料胶束，通过荧光共振能量转移（FRET）机制，形成了一种以双咔唑为能量供体、PBI胶束为能量受体的白光发射纳米光源体系。
• Design, synthesis and bioevaluation of tricyclic fused ring system as dual binding site acetylcholinesterase inhibitors
  作者：Saba Tahir Tanoli、Muhammad Ramzan、Abbas Hassan、Abdul Sadiq、Muhammad Saeed Jan、Farhan A. Khan、Farhat Ullah、Haseen Ahmad、Maria Bibi、Tariq Mahmood、Umer Rashid

  DOI：10.1016/j.bioorg.2018.10.035

  日期：2019.3

  discovered non-classical acetylcholinesterase (AChE) function, dual binding-site AChE inhibitors have acquired a paramount attention of drug designing researchers. The unique structural arrangements of AChE peripheral anionic site (PAS) and catalytic site (CAS) joined by a narrow gorge, prompted us to design the inhibitors that can interact with dual binding sites of AChE. Eighteen homo- and heterodimers of

  由于最近发现了非经典的乙酰胆碱酯酶（AChE）功能，双重结合位点AChE抑制剂已引起药物设计研究人员的高度重视。AChE外围阴离子位点（PAS）和催化位点（CAS）的独特结构排列由狭窄的峡谷连接，促使我们设计可以与AChE的双重结合位点相互作用的抑制剂。合成了十八种去氯雷他定和咔唑的同二聚体和异二聚体（已可用的三环结构单元），并测试了它们对电鳗乙酰胆碱酯酶（eeAChE）和马血清丁酰胆碱酯酶（eqBChE）的抑制潜力。我们确定了基于地氯雷他定和茚二酮的三环二氢嘧啶（4c）的六碳系链异二聚体为eeAChE的有效和选择性抑制剂，IC50值为0.09±0。003μM和1.04±0.08μM（对于eqBChE），选择性指数为11.1。有效抑制剂的结合姿势分析表明，三环通过与Trp84和Trp279的疏水相互作用很好地容纳在AChE活性位点中。最具活性的异二聚体4b的茚满酮环稳定在峡谷底部，并与重要
• Gas-phase reactivities and interchromophoric effects in 1,n-dicarbazolylalkane cations and related species
  作者：Steven M. Schildcrout、Randolph B. Krafcik、John Masnovi

  DOI：10.1021/jo00025a015

  日期：1991.12

  The behavior of gaseous cations derived from electron ionization (20 and 70 eV) and methane chemical ionization (CI) of 1,n-dicarbazolylalkanes 1a-5a (where n = 1-5 methylene units, respectively) and the corresponding 3-nitro derivatives 1b-5b was examined using mass spectrometry. An iminium ion (m/z 180) is the major fragment from all 1-5 examined with the exception of 4a, for which CI affords predominantly a pyrrolidinium ion (m/z 222) by displacement of carbazole. Compounds 1a and 1b exhibit little [M].+ and [M + H]+ and undergo the most extensive fragmentation. Ethylated iminium ion (m/z 208) is observed from both 1a and 1b under CI conditions, indicating operation of an interannular hydrogen shift. Compound 3a fragments least, consistent with an exceptional, although small, stabilization for the parent ions of this derivative.
• CROSS-LINKING POLYMER AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20140231771A1

  公开（公告）日：2014-08-21

  A polymer including structural units represented by the following formulas (A) and (B). In the formula (A), P is a group derived from a compound represented by the formula (P). L 1 is a linkage group. In the formula (B), Q is a group derived from a compound represented by the formula (Q). L 2 is a linkage group. In the formula (B), at least one of “c”Qs and “d”L 2 s includes a cross-linkable group.
• ORGANIC ELECTROLUMINESCENCE COMPOSITION, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, SOLUTION OF MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20160190477A1

  公开（公告）日：2016-06-30

  An organic electroluminescence composition including two or more compounds each having a specific structure combining a hole transporting ability and an electron transporting ability; an organic electroluminescence composition including one or more compounds each having a specific structure combining a hole transporting ability and an electron transporting ability and a different compound having an electron transporting skeleton; and a material for organic electroluminescence devices, a solution of a material for organic electroluminescence devices and an organic electroluminescence device, each including the aromatic heterocyclic derivative.