Tetra-2,3-(dibenzobarreleno)porphyrazin | 40537-03-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: Tetra-2,3-(dibenzobarreleno)porphyrazin
• 英文别名: 5,9,14,18,23,27,32,36-octahydro-37H,39H-5,36;9,14;18,23;27,32-tetra-o-benzeno-tetranaphtho[2,3-b;2',3'-g;2'',3''-l;2''',3'''-q]porphyrazine；4,17,30,43,59,60,67,74-Octazahenicosacyclo[44.6.6.67,14.620,27.633,40.13,44.15,16.118,29.131,42.02,45.06,15.08,13.019,28.021,26.032,41.034,39.047,52.053,58.061,66.068,73.075,80]octaconta-2(45),3,5,8,10,12,15,17,19(28),21,23,25,29(67),30,32(41),34,36,38,42(60),44(59),47,49,51,53,55,57,61,63,65,68,70,72,75,77,79-pentatriacontaene；4,17,30,43,59,60,67,74-octazahenicosacyclo[44.6.6.67,14.620,27.633,40.13,44.15,16.118,29.131,42.02,45.06,15.08,13.019,28.021,26.032,41.034,39.047,52.053,58.061,66.068,73.075,80]octaconta-2(45),3,5,8,10,12,15,17,19(28),21,23,25,29(67),30,32(41),34,36,38,42(60),44(59),47,49,51,53,55,57,61,63,65,68,70,72,75,77,79-pentatriacontaene
• CAS: 40537-03-9
• 化学式: C₇₂H₄₂N₈
• 分子量: 1019.18
• InChiKey: ZVJSWRMIZJONEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  80
• 可旋转键数：
  0
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6