1,4-bis[2-(4-isocyano-3,5-diisopropylphenyl)ethynyl]benzene | 869641-38-3

• 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: 1,4-bis[2-(4-isocyano-3,5-diisopropylphenyl)ethynyl]benzene
• 英文别名: 2-Isocyano-5-[2-[4-[2-[4-isocyano-3,5-di(propan-2-yl)phenyl]ethynyl]phenyl]ethynyl]-1,3-di(propan-2-yl)benzene
• CAS: 869641-38-3
• 化学式: C₃₆H₃₆N₂
• 分子量: 496.695
• InChiKey: VXGCQXIDLBHPHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  8.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,12-bis[trans-Pt(PEt3)2NO3]-[7-(3,5-di-tert-butylphenyl)-5,6,8,9-tetrahydro-dibenzo[c,h]acridine] 、 1,4-bis[2-(4-isocyano-3,5-diisopropylphenyl)ethynyl]benzene 以 水 、 丙酮 为溶剂， 生成 cyclo-bis[(2,12-bis(trans-Pt(PEt3)2)-7-(3,5-di-tert-butylphenyl)-5,6,8,9-tetrahydrodibenzo[c,h]acridine)(1,4-bis[2-(4-isocyano-3,5-diisopropylphenyl)ethynyl]benzene)](NO3)4
  参考文献：
  名称：

  Self-Assembly of Rectangles and Prisms via a Molecular “Clip”

  摘要：

  Aromatic molecular "clips" bearing two symmetrically bound platinum moieties have been prepared. The molecular "clip" 4 readily self-assembled with linear linkers such as 4,4'-bipyridyl, 1,4-bis[2-(4-isocyano-3,5-diisopropylphenyl)ethynyl]benzene, and nicotinic acid to form molecular rectangles. The overall dimensions of the rectangle 7 were 7.3 angstrom x 15.3 angstrom. The molecular "clip" also self-assembled with tritopic pyridyl and isocyanide ligands to form trigonal prismatic frameworks. The characterization of the supramolecules by multinuclear NMR, electrospray mass spectrometry, and X-ray crystal structures is also reported.

  DOI：

  10.1021/ic0508369