3,3'-Methylenbis(9-ethylcarbazol) | 16391-67-6

• 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: 3,3'-Methylenbis(9-ethylcarbazol)
• 英文别名: 9,9'-diethyl-3,3'-methanediyl-bis-carbazole；bis-(9-ethyl-carbazol-3-yl)-methane；Bis-(9-aethyl-carbazol-3-yl)-methan；N,N'-Diethylbis-3,3'-carbazolylmethan；Bis(9-ethyl-3-carbazolyl)methan；Bis(9-ethylcarbazol-3-yl)methane；9-ethyl-3-[(9-ethylcarbazol-3-yl)methyl]carbazole
• CAS: 16391-67-6
• 化学式: C₂₉H₂₆N₂
• 分子量: 402.539
• InChiKey: VGHGDINLFUVIBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  Bis(5,6,7,8-tetrahydro-3-carbazolyl)methan 在 palladium on activated charcoal 作用下， 生成 3,3'-Methylenbis(9-ethylcarbazol)
  参考文献：
  名称：

  Indoles, carbazoles, and related compounds. I. Carbazole leuco derivatives related to 4,4'-diaminodiphenylmethanes. Bis(3-carbazolyl)methanes and bis(9-carbazolyl) methanes

  摘要：

  DOI：

  10.1021/jo00832a025

文献信息

• Charge-transfer complexations of 1,n-di(9-ethylcarbazol-3-yl)alkanes with tetracyanoethylene and tetranitromethane
  作者：Erol Asker、John Masnovi

  DOI：10.1016/j.saa.2008.07.034

  日期：2009.1

  dicarbazoles formed stable 1:1 electron donor-acceptor complexes with TCNE having formation enthalpies around -3.5kcal/mol. With TNM they formed more weakly bound complexes that showed little dependence on concentration and almost zero dependence on temperature changes having nearly 0kcal/mol enthalpies of formation. The smaller gap between the two carbazole groups in 1,n-di(9-ethylcarbazol-3-yl)alkanes with

  1，n-二（9-乙基咔唑-3-基）烷烃，其中n = 1-5，作为聚-3-乙烯基咔唑的双色模型化合物被合成，以研究它们与电子受体四氰基乙烯（TCNE）和四硝基甲烷（TNM）。还包括9,9'-二乙基-3,3'-二咔唑基，二（3-乙基咔唑-9-基）甲烷和三种单体类似物用于比较。在二氯甲烷溶液中，二咔唑与TCNE形成稳定的1：1电子供体-受体配合物，TCNE的形成焓约为-3.5kcal / mol。用TNM，它们形成了更弱结合的复合物，对浓度几乎没有依赖性，而对温度变化的依赖性几乎为零，具有接近0kcal / mol的形成焓。1，n-二（9-乙基咔唑-3-基）烷烃中两个咔唑基团之间的较小间隙或= 3。
• Flo, Camran; Pindur, Ulf, Liebigs Annalen der Chemie, 1987, p. 509 - 514
  作者：Flo, Camran、Pindur, Ulf

  DOI：——

  日期：——
• FLO, C.;PINDUR, U., LIEBIGS ANN. CHEM.,(1987) N 6, 509-513
  作者：FLO, C.、PINDUR, U.

  DOI：——

  日期：——
• MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME
  申请人：Numata Masaki

  公开号：US20110278552A1

  公开（公告）日：2011-11-17

  The present invention provides a material for an organic electroluminescence device having a specific structure in which a dibennzofuranyl group or a dibenzothiophenyl group is bonded at an N-position (9-position) of a carbazolyl group and an organic electroluminescence device which is provided with one or more organic thin film layers including a light emitting layer between a cathode and an anode and in which at least one layer of the organic thin film layers described above contains the material for an organic electroluminescence device according to the present invention.
• ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：Nishimura Kazuki

  公开号：US20130092913A1

  公开（公告）日：2013-04-18

  An organic electroluminescence device, including: an anode; a cathode opposed to the anode; and a first emitting layer and a second emitting layer between the anode and the cathode in this sequence from the anode, wherein: the first emitting layer and the second emitting layer each include a host and a phosphorescent dopant; the host of the first emitting layer and the host of the second emitting layer each have a triplet energy of 2.8 eV or more; the host of the first emitting layer has an ionization potential of 5.5 eV or less; and an affinity Af 1 of the host of the first emitting layer is smaller than an affinity Af 2 of the host of the second emitting layer.