5,7,12,14-Tetrachloro-6,13-diazapentacene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 5,7,12,14-Tetrachloro-6,13-diazapentacene
• 英文别名: 4,11,15,22-tetrachloro-2,13-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
• 化学式: C₂₀H₈Cl₄N₂
• 分子量: 418.1
• InChiKey: QSZZAVTYFCZEOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• POLARIZATION SOURCE FOR DYNAMIC NUCLEAR POLARIZATION, COMPOSITION, COMPOSITION FOR DYNAMIC NUCLEAR POLARIZATION, METHOD FOR HYPERPOLARIZATION, HYPERPOLARIZED SUBSTANCE AND NMR MEASUREMENT METHOD
  申请人：KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION

  公开号：US20220146606A1

  公开（公告）日：2022-05-12

  Provided is a polarization source having high oxygen resistance and capable of stably transitioning the spin polarization of electron to nucleus even in an environment where oxygen exists. A polarization source for dynamic nuclear polarization containing a molecule represented by the following general formula. One to six of Z 1 to Z 10 each represent N, and the others each independently represent C—R. R represents a hydrogen atom or a substituent. n represents an integer of 1 to 4.