tetraphenyldithiapyranylidene (3,3',5,5'-tetraphenyl-4,4'-dithia-1,1'-bi-2,5-cyclohexadienylidene) | 42506-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫吡喃类
• 英文名称: tetraphenyldithiapyranylidene (3,3',5,5'-tetraphenyl-4,4'-dithia-1,1'-bi-2,5-cyclohexadienylidene)
• 英文别名: Δ^4,4'-2,2',6,6'-tetraphenyl-4-thiopyranyl-4H-thiopyran；4H-thiapyran,4-(2,6 diphenyl-4H thiopyran-4-ylidene)2,6 diophenyl；2,2',6,6'-tetraphenylbithiapyranylidene；Tetraphenylbithiopyranilidene；tetraphenyldithiapyranylidene；Tetraphenyldithiopyranyliden；4H-Thiopyran, 4-(2,6-diphenyl-4H-thiopyran-4-ylidene)-2,6-diphenyl-；4-(2,6-diphenylthiopyran-4-ylidene)-2,6-diphenylthiopyran
• CAS: 42506-60-5
• 化学式: C₃₄H₂₄S₂
• 分子量: 496.697
• InChiKey: AUGHHYXEFUHBLP-UHFFFAOYSA-N

物化性质

• 熔点：
  324-327 °C
• 沸点：
  676.0±55.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tetraphenyldithiapyranylidene (3,3',5,5'-tetraphenyl-4,4'-dithia-1,1'-bi-2,5-cyclohexadienylidene) 在 氯仿 、 溴 作用下， 生成 2,6,2',6'-tetraphenyl-[4,4']bithiopyranylylium(2+); bis-tribromoide
  参考文献：
  名称：

  Arndt; Lorenz, Chemische Berichte, 1930, vol. 63, p. 3127

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-diphenyl-γ-telluropyrone 在 劳森试剂 、 铜 、 sulfur 作用下， 以 甲苯 、 xylene 为溶剂， 反应 5.0h， 生成 tetraphenyldithiapyranylidene (3,3',5,5'-tetraphenyl-4,4'-dithia-1,1'-bi-2,5-cyclohexadienylidene)
  参考文献：
  名称：

  .DELTA.4,4'-4-Telluropyranyl-4H-telluropyrans. 1. Tellurosulfides and tellurium-sulfur exchange

  摘要：

  DOI：

  10.1021/jo00345a056

文献信息

• DERIVATIVES OR DIPYRANNYLIDENE TYPE AS ANODE INTERFACE LAYER IN ELECTRONIC DEVICES
  申请人：Fichou Denis

  公开号：US20110083730A1

  公开（公告）日：2011-04-14

  The present invention relates to substrates coated with films comprising compounds of general formula (I) below: and also to the process for manufacturing them and to their use as anode interface layer in electronic devices. The present invention also relates to organic electroluminescent diodes (OLED), polymeric electroluminescent diodes (PLED), organic field-effect transistors (OFET) and organic solar cells (OSC) comprising a substrate according to the invention, to specific organic solar cells and to the process for manufacturing them. Compounds of formula (I) as such also form part of the invention.

  本发明涉及涂有通式（I）化合物的膜的基板，以及制造它们的过程和它们作为电子器件中阳极界面层的用途。本发明还涉及包括本发明中的基板的有机电致发光二极管（OLED）、聚合物电致发光二极管（PLED）、有机场效应晶体管（OFET）和有机太阳能电池（OSC），特定的有机太阳能电池和制造它们的过程。通式（I）的化合物本身也是本发明的一部分。
• Arndt; Nachtwey; Pusch, Chemische Berichte, 1925, vol. 58, p. 1641
  作者：Arndt、Nachtwey、Pusch

  DOI：——

  日期：——
• Schoenberg; Asker, Journal of the Chemical Society, 1942, p. 272
  作者：Schoenberg、Asker

  DOI：——

  日期：——
• Garrigou-Lagrange, C.; Strzelecka, H., Journal de Chimie Physique et de Physico-Chimie Biologique, 1990, vol. 87, p. 1763 - 1784
  作者：Garrigou-Lagrange, C.、Strzelecka, H.

  DOI：——

  日期：——
• A new π donor-acceptor compound derived from tetraphenyldithiapyranylidene and bis-(1,3-dithia-2- thione-4,5-dithiolato)-nickelate: crystal structure and epr study
  作者：H. Strzelecka、R. Vicente、J. Ribas、J.-P. Legros、P. Cassoux、P. Petit、J.-J. Andre

  DOI：10.1016/s0277-5387(00)83755-9

  日期：1991.1

  The electrosynthesis, X-ray crystal structure and EPR study of the 1:1 adduct between tetraphenyldithiapyranylidene and bis-(1,3-dithia-2-thione-4,5-dithiolato)-nickelate, (DIPS-PHI-4)[Ni(dmit)2], are reported. The triclinic unit cell contains one Ni(dmit)2 and one DIPS-PHI-4 entity, the molecular centre of each lying on a crystallographic centre of symmetry. The structure is characterized by a loose stacking ( > 10 angstrom) of Ni(dmit)2 units along [001], with no strong intermolecular interaction, consistent with the low electrical conductivity. Single-crystal EPR spectra show a single, broad line for any orientation. The angular dependences of the line width and of the g-factors have been determined, as well as the principal g-values and directions. The temperature-dependences of the susceptibility, the line width and the g-factor have been measured in the range 4-300 K. Analysis of these results indicates that dipolar spin-spin interaction takes place in this highly electron-correlated semiconducting system with complete charge transfer between the donor DIPS-PHI-4 and the acceptor Ni(dmit)2.

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