1,1',1'',1'''-(2,2',4,4',6,6'-hexamethylbiphenyl-3.3',5,5'-tetrayl)tetrakis(methylene)(1H-imidazole) | 1174508-24-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1',1'',1'''-(2,2',4,4',6,6'-hexamethylbiphenyl-3.3',5,5'-tetrayl)tetrakis(methylene)(1H-imidazole)
• 英文别名: 1-[[3-[3,5-Bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]-5-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole；1-[[3-[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]-5-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole
• CAS: 1174508-24-7
• 化学式: C₃₄H₃₈N₈
• 分子量: 558.729
• InChiKey: IEWOJMCNHALYLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  71.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  silver cyanide 、 1,1',1'',1'''-(2,2',4,4',6,6'-hexamethylbiphenyl-3.3',5,5'-tetrayl)tetrakis(methylene)(1H-imidazole) 以 乙腈 为溶剂， 以68%的产率得到[(AgCN)3((1,1',1'',1'''-(2,2',4,4',6,6'-hexamethylbiphenyl-3,3',5,5'-tetrayl)tetrakis(methylene)(1H-imidazole))]n
  参考文献：
  名称：

  Syntheses, topological analyses and photoelectric properties of Ag(I)/Cu(I) metal-organic frameworks based on a tetradentate imidazolate ligand

  摘要：

  A new tetradentate imidazolate ligand 1,1',1 '',1'''-(2,2',4,4',6,6'-hexamethylbiphenyl-3,3',5,5'-tetrayl)tetrakis(methylene)(1H-imidazole) (L) and four Ag(I)/Cu(I) coordination polymers, namely [(MCN)(3)L](n) (1: M = Ag; 2: M = Cu), and [(MSCN)(2)L] (3: M = Ag; 4: M = Cu) are described. All four new coordination polymers were fully characterized by infrared spectroscopy, elemental analysis and single-crystal X-ray diffraction. Compound 1 features a 3D supramolecular framework constructed by 1D chains through inter-chain Ag-N(CN) and inter-layer Ag-N(L) weak interactions with an uninodal 6(6) topology. Complex 2 presents a 3D framework characterized by a tetranodal (3,4)-connected (3(.)4(.)5(.)10(2.)11)(3(.)4(.)5(.)6(.)7(.)9)(3(.)6(.)7)(6(.)10(2)) topology. Complexes 3 and 4 are isostructural, and both have a 3D network of trinodal 4-connected (4(.)8(5))(2)(4(2.)8(2.)10(2))(4(2.)8(4))(2) topology. The luminescent properties for these compounds in the solid state as well as the possible ferroelectric behavior of 1 are discussed. (C) 2009 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2009.03.012

文献信息

• Syntheses, topological analyses and photoelectric properties of Ag(I)/Cu(I) metal-organic frameworks based on a tetradentate imidazolate ligand
  作者：Hua-Sen Weng、Jian-Di Lin、Xi-Fa Long、Zhi-Hua Li、Ping Lin、Shao-Wu Du

  DOI：10.1016/j.jssc.2009.03.012

  日期：2009.6

  A new tetradentate imidazolate ligand 1,1',1 '',1'''-(2,2',4,4',6,6'-hexamethylbiphenyl-3,3',5,5'-tetrayl)tetrakis(methylene)(1H-imidazole) (L) and four Ag(I)/Cu(I) coordination polymers, namely [(MCN)(3)L](n) (1: M = Ag; 2: M = Cu), and [(MSCN)(2)L] (3: M = Ag; 4: M = Cu) are described. All four new coordination polymers were fully characterized by infrared spectroscopy, elemental analysis and single-crystal X-ray diffraction. Compound 1 features a 3D supramolecular framework constructed by 1D chains through inter-chain Ag-N(CN) and inter-layer Ag-N(L) weak interactions with an uninodal 6(6) topology. Complex 2 presents a 3D framework characterized by a tetranodal (3,4)-connected (3(.)4(.)5(.)10(2.)11)(3(.)4(.)5(.)6(.)7(.)9)(3(.)6(.)7)(6(.)10(2)) topology. Complexes 3 and 4 are isostructural, and both have a 3D network of trinodal 4-connected (4(.)8(5))(2)(4(2.)8(2.)10(2))(4(2.)8(4))(2) topology. The luminescent properties for these compounds in the solid state as well as the possible ferroelectric behavior of 1 are discussed. (C) 2009 Elsevier Inc. All rights reserved.