1,10-diaza-5,6,15,17-tetrathia-2,3:8,9:12,13,18:19-tetrabenzocyclododeca-10,20-diene | 21620-34-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,10-diaza-5,6,15,17-tetrathia-2,3:8,9:12,13,18:19-tetrabenzocyclododeca-10,20-diene
• 英文别名: 12,13,26,27-tetrahydro-11,14,25,28-tetrathia-5,20-diaza-tetrabenzo[a,e,k,o]cycloeicosene；10,13,28,31-Tetrathia-2,21-diazapentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),2,4,6,8,14,16,18,20,22,24,26,32,34-tetradecaene；10,13,28,31-tetrathia-2,21-diazapentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),2,4,6,8,14,16,18,20,22,24,26,32,34-tetradecaene
• CAS: 21620-34-8
• 化学式: C₃₀H₂₆N₂S₄
• 分子量: 542.814
• InChiKey: ALFVKOIHBTVELO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  manganese(II) thiocyanate 、 1,10-diaza-5,6,15,17-tetrathia-2,3:8,9:12,13,18:19-tetrabenzocyclododeca-10,20-diene 以 乙醇 为溶剂， 生成 (1,10-diaza-5,6,15,17-tetrathia-2,3:8,9:12,13,18:19-tetrabenzocyclododeca-10,20-diene)manganese(II) di(thiocyanate)
  参考文献：
  名称：

  Coordination patterns: Spectroscopic and electrochemical investigation on Mn(II) complexes with macrocyclic ligands derived from two different organic skeletons

  摘要：

  Two novel macrocyclic ligands and their complexes Mn(L-1 and L-2)]X-2 (L-1 and L-2 = 1,10-diaza- 5,6,15,17-tetraoxa(tetrathia)-2,3:8,9:12,13,18:19-tetrabenzocyclododeca-10,20-diene; X = Cl, NO3, NCS, SO4) were primed and their capacity to sustain the Mn2+ ion in solid, as well as in aqueous solution, was resoluted from an assortment of physicochemical measurements, Viz., elemental analyses, molar conductance measurements, magnetic susceptibility measurements, mass, IR, H-1 NMR electronic, ESR spectral studies, and cyclic voltarnmetric (CV) measurements.

  DOI：

  10.1134/s107032840712010x
• 作为产物：
  描述：

  2,2;-ethane-1,2-diyl(thio)bisbenzaldehyde 、 2,2-(乙烯二硫代)二苯胺 生成 1,10-diaza-5,6,15,17-tetrathia-2,3:8,9:12,13,18:19-tetrabenzocyclododeca-10,20-diene
  参考文献：
  名称：

  Nickel(II) and cobalt(II) complexes of a new sexadentate macrocycle

  摘要：

  DOI：

  10.1021/ja01045a016