copper tetra-(5-phenylsulfanyl)phthalocyanine | 59172-07-5

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: copper tetra-(5-phenylsulfanyl)phthalocyanine
• 英文别名: CuPc(5-SPh)4；Cu(phthalocyanine(SPh)4)；copper;6,15,24,33-tetrakis(phenylsulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• CAS: 59172-07-5
• 化学式: C₅₆H₃₂CuN₈S₄
• 分子量: 1008.73
• InChiKey: FHZYBZVVNMGZPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  copper tetra-(4-tert-butyl-5-phenylsulfanyl)phthalocyanine 以 neat (no solvent) 为溶剂， 生成 copper tetra-(5-phenylsulfanyl)phthalocyanine
  参考文献：
  名称：

  Synthesis and Properties of Tetra(4-tert-butyl-5-phenylsulfanyl)phthalocyanines and Their Derivatives

  摘要：

  The methods of synthesis of 4-tert-butyl-5-sulfanylphenyl-and 4-tert-butyl-5-(4'-carboxyphenylsulfanyl) phthalonitriles have been developed and on their basis the corresponding octa-substituted phthalocyanines have been prepared. The effect of the structure of the above phthalocyanine derivatives on their electronic absorption spectra and parameters of thermal degradation in the presence of air oxygen were studied.

  DOI：

  10.1134/s1070363218040187

文献信息

• Low Symmetrical Phthalocyanines Having Spectroscopic and Electrochemical Properties Characteristic of Unexpected Accidental S₁State Degeneracy and Non-Planar Distortions
  作者：Victor N. Nemykin、Nagao Kobayashi、Taro Nonomura、Eugene A. Luk’yanets

  DOI：10.1246/cl.2000.184

  日期：2000.2

  Low-symmetrical phthalocyanines (Pcs) 2-5 prepared by mixed condensation of tetraphenylphthalonitrile and 4-phenylthiophthalonitrile in the presence of a copper salt, show spectroscopic, electrochemical, and molecular model indications which suggest varying degrees of non-planar distortions of the Pc plane and unexpected S1 state degeneracy.

  低对称酞菁 (Pcs) 2-5 通过四苯基邻苯二甲腈和 4-苯基硫代邻苯二甲腈在铜盐存在下的混合缩合制备，显示光谱、电化学和分子模型指示，表明 Pc 平面的非平面扭曲程度不同和意想不到的 S1 状态退化。
• Derkacheva, V. M.; Luk#yanets, E. A., Journal of general chemistry of the USSR, 1980, vol. 50, p. 1874 - 1878
  作者：Derkacheva, V. M.、Luk#yanets, E. A.

  DOI：——

  日期：——