(16-{4-[4-(5-(dimethylamino)naphthalene-1-sulfonyl)piperazin-1-yl]phenyl}-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)(phenyl)metanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (16-{4-[4-(5-(dimethylamino)naphthalene-1-sulfonyl)piperazin-1-yl]phenyl}-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)(phenyl)metanone
• 英文别名: [16-[4-[4-[5-(Dimethylamino)naphthalen-1-yl]sulfonylpiperazin-1-yl]phenyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-phenylmethanone
• 化学式: C₄₁H₅₃N₅O₇S
• 分子量: 759.967
• InChiKey: QEKJNOIZBKGQEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  54
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  丹酰氯 、 1-(piperazin-1-yl)-4-(4,7,13,16-tetraoxa-10-benzoyl-1,10-diazacyclooctadecyl)benzene 在 caesium carbonate 作用下， 以 二氯甲烷 为溶剂， 以80%的产率得到(16-{4-[4-(5-(dimethylamino)naphthalene-1-sulfonyl)piperazin-1-yl]phenyl}-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)(phenyl)metanone
  参考文献：
  名称：

  Fluorescent Photoinduced Electron Transfer (PET) Sensing Molecules with p-Phenylenediamine as Electron Donor

  摘要：

  Fluorescent photoinduced electron-transfer sensors were made from p-phenylenediamine-substituted azacrown ethers attached with a dansyl group, in which the p-phenylenediamine moiety serves as electron donor and the dansyl group acts as the acceptor. Chelation-enhanced fluorescence was observed upon addition of metal salts. Selective fluorescence response was observed for Mg2+ and/ or Ca2+ versus Na+ and K+ due to size match and charge density sensitivity of the p-phenylenediamine moiety.

  DOI：

  10.1021/jo030059z