5-Sulfo-2-(15,16,24,25-tetramethyl-15,25-diphenyl-20-oxa-7,33-dithia-24-aza-16-azonianonacyclo[19.15.0.03,19.05,17.06,14.08,13.023,35.026,34.027,32]hexatriaconta-1(21),2,4,6(14),8,10,12,16,18,22,26(34),27,29,31,35-pentadecaen-2-yl)benzenesulfonate | 1040380-06-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 5-Sulfo-2-(15,16,24,25-tetramethyl-15,25-diphenyl-20-oxa-7,33-dithia-24-aza-16-azonianonacyclo[19.15.0.03,19.05,17.06,14.08,13.023,35.026,34.027,32]hexatriaconta-1(21),2,4,6(14),8,10,12,16,18,22,26(34),27,29,31,35-pentadecaen-2-yl)benzenesulfonate
• CAS: 1040380-06-0
• 化学式: C₅₃H₃₈N₂O₇S₄
• 分子量: 943.158
• InChiKey: LIHKGZTXSUGVFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  66
• 可旋转键数：
  4
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  200
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  、 disodium 2-formylbenzene-1,5-disulfonate 在 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以92%的产率得到5-Sulfo-2-(15,16,24,25-tetramethyl-15,25-diphenyl-20-oxa-7,33-dithia-24-aza-16-azonianonacyclo[19.15.0.03,19.05,17.06,14.08,13.023,35.026,34.027,32]hexatriaconta-1(21),2,4,6(14),8,10,12,16,18,22,26(34),27,29,31,35-pentadecaen-2-yl)benzenesulfonate
  参考文献：
  名称：

  Synthesis of fluorescent rhodamine dyes using an extension of the Heck reaction

  摘要：

  Both benzo[b]thiophene and indole containing rhodamine dyes were synthesized according to a new pathway requiring a Heck-type coupling and a Pictet-Spengler reaction. The electron-rich indolic dye was shown to have noteworthy absorption and emission maximum. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.021