10,10'-((10-bromo-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[9,1]quinolizino[3,4,5,6,7-defg]acridine-2,6-diyl)bis(ethyne-2,1-diyl))bis(2,6-di-tert-butyl-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[9,1]quinolizino[3,4,5,6,7-defg]acridine) | 1097721-87-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 10,10'-((10-bromo-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[9,1]quinolizino[3,4,5,6,7-defg]acridine-2,6-diyl)bis(ethyne-2,1-diyl))bis(2,6-di-tert-butyl-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[9,1]quinolizino[3,4,5,6,7-defg]acridine)
• CAS: 1097721-87-3
• 化学式: C₁₀₁H₁₀₈BrN₃
• 分子量: 1443.89
• InChiKey: UNYDDUKEHVBONC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.6
• 重原子数：
  105.0
• 可旋转键数：
  0.0
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  9.72
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  10,10'-((10-bromo-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[9,1]quinolizino[3,4,5,6,7-defg]acridine-2,6-diyl)bis(ethyne-2,1-diyl))bis(2,6-di-tert-butyl-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[9,1]quinolizino[3,4,5,6,7-defg]acridine) 、 二(三正丁基甲锡烷基)乙炔 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以16%的产率得到5-[2-[11,17-Bis[2-(11,17-ditert-butyl-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl)ethynyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]ethynyl]-11,17-bis[2-(11,17-ditert-butyl-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl)ethynyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
  参考文献：
  名称：

  Bridged Triphenylamine-Based Dendrimers: Tuning Enhanced Two-Photon Absorption Performance with Locked Molecular Planarity

  摘要：

  Triphenylamine derivatives bridged by methylene units afford a near planar molecular platform In a series of one dimer and two oligomers exhibiting Increased structural rigidity compared to that of their parent triphenylamines. This series of dendrimers show significantly enhanced two-photon absorptions that are up to 3-fold that of triphenylamines with similar molecular size and structure.

  DOI：

  10.1021/ol801238n
• 作为产物：
  描述：

  2-bromo-6,10-diiodo-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[1,9]quinolizino-[3,4,5,6,7-defg]acridine 、 5,11-Ditert-butyl-17-ethynyl-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以40%的产率得到10,10'-((10-bromo-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[9,1]quinolizino[3,4,5,6,7-defg]acridine-2,6-diyl)bis(ethyne-2,1-diyl))bis(2,6-di-tert-butyl-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[9,1]quinolizino[3,4,5,6,7-defg]acridine)
  参考文献：
  名称：

  Bridged Triphenylamine-Based Dendrimers: Tuning Enhanced Two-Photon Absorption Performance with Locked Molecular Planarity

  摘要：

  Triphenylamine derivatives bridged by methylene units afford a near planar molecular platform In a series of one dimer and two oligomers exhibiting Increased structural rigidity compared to that of their parent triphenylamines. This series of dendrimers show significantly enhanced two-photon absorptions that are up to 3-fold that of triphenylamines with similar molecular size and structure.

  DOI：

  10.1021/ol801238n