Ethanaminium, N-(4-(bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-kappaO:kappaO:kappaO:kappaO':kappaO':kappaO':kappaO'':kappaO'':kappaO'':kappaO''':kappaO''':kappaO'''))dodecamolybdate(3-) (4:1:1), monohydrate | 69070-63-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethanaminium, N-(4-(bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-kappaO:kappaO:kappaO:kappaO':kappaO':kappaO':kappaO'':kappaO'':kappaO'':kappaO''':kappaO''':kappaO'''))dodecamolybdate(3-) (4:1:1), monohydrate
• 英文别名: [4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;phosphoric acid;2,4,6,8,10,12,14,16,18,20,22,24,25,26,27,28,29,30,31,32,33,34,35,36-tetracosaoxa-1λ6,3λ6,5λ6,7λ6,9λ6,11λ6,13λ6,15λ6,17λ6,19λ6,21λ6,23λ6-dodecamolybdatridecacyclo[11.11.1.11,5.13,9.13,11.15,21.17,17.17,21.19,17.111,15.113,23.115,19.119,23]hexatriacontane 1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxide;hydroxide;hydrate
• CAS: 69070-63-9
• 化学式: C124H174Mo12N12O42P+3
• 分子量: 3687.0
• InChiKey: SZGFPJCHIDIQDD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  22.17
• 重原子数：
  191
• 可旋转键数：
  40
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  544
• 氢给体数：
  5
• 氢受体数：
  50