8,35-Bis(4-tert-butylphenyl)-5,38-bis(2-decyltetradecyl)-5,38-diazatridecacyclo[20.18.1.12,17.04,16.06,15.09,14.013,18.025,30.026,41.027,39.028,37.029,34.021,42]dotetraconta-1(40),2,4(16),6(15),7,9,11,13,17,19,21(42),22(41),23,25,27(39),28(37),29,31,33,35-icosaene | 1191399-28-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 8,35-Bis(4-tert-butylphenyl)-5,38-bis(2-decyltetradecyl)-5,38-diazatridecacyclo[20.18.1.12,17.04,16.06,15.09,14.013,18.025,30.026,41.027,39.028,37.029,34.021,42]dotetraconta-1(40),2,4(16),6(15),7,9,11,13,17,19,21(42),22(41),23,25,27(39),28(37),29,31,33,35-icosaene
• 英文别名: 8,35-bis(4-tert-butylphenyl)-5,38-bis(2-decyltetradecyl)-5,38-diazatridecacyclo[20.18.1.12,17.04,16.06,15.09,14.013,18.025,30.026,41.027,39.028,37.029,34.021,42]dotetraconta-1(40),2,4(16),6(15),7,9,11,13,17,19,21(42),22(41),23,25,27(39),28(37),29,31,33,35-icosaene
• CAS: 1191399-28-6
• 化学式: C₁₀₈H₁₃₈N₂
• 分子量: 1464.3
• InChiKey: MESUYOPGVXYKFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  41.1
• 重原子数：
  110
• 可旋转键数：
  48
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  9.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  在 2,3-二氯-5,6-二氰基-1,4-苯醌 、 scandium tris(trifluoromethanesulfonate) 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以62%的产率得到8,35-Bis(4-tert-butylphenyl)-5,38-bis(2-decyltetradecyl)-5,38-diazatridecacyclo[20.18.1.12,17.04,16.06,15.09,14.013,18.025,30.026,41.027,39.028,37.029,34.021,42]dotetraconta-1(40),2,4(16),6(15),7,9,11,13,17,19,21(42),22(41),23,25,27(39),28(37),29,31,33,35-icosaene
  参考文献：
  名称：

  Bis- N环化的四萘嵌二苯二酰亚胺作为新型可溶且稳定的近红外染料

  摘要：

  合成了一种新型的梯型双-N-季铵化双（二甲叉酰亚胺）（1），它在普通有机溶剂中显示出优异的溶解性，高摩尔吸光度和良好的稳定性。此外，它以高的荧光量子产率吸收和发射近红外光谱区域的光。所有这些特性使它成为许多应用中有希望的NIR染料。

  DOI：

  10.1021/ol902027b

文献信息

• Bis-<i>N</i>-annulated Quaterrylenebis(dicarboximide) as a New Soluble and Stable Near-Infrared Dye
  作者：Chongjun Jiao、Kuo-Wei Huang、Jing Luo、Kai Zhang、Chunyan Chi、Jishan Wu

  DOI：10.1021/ol902027b

  日期：2009.10.15

  quaterrylenebis(dicarboximide) (1) was synthesized, and it exhibits excellent solubility in common organic solvents, high molar absorptivity, and good stability. Moreover, it absorbs and emits light in the near-IR spectral region with a high fluorescence quantum yield. All these properties qualify it as a promising NIR dye for many applications.

  合成了一种新型的梯型双-N-季铵化双（二甲叉酰亚胺）（1），它在普通有机溶剂中显示出优异的溶解性，高摩尔吸光度和良好的稳定性。此外，它以高的荧光量子产率吸收和发射近红外光谱区域的光。所有这些特性使它成为许多应用中有希望的NIR染料。