67953-39-3 (N-[4-[二[4-(二甲氨基)苯基]亚甲基]-2,5-环己二烯-1-亚基]-N-甲基甲铵二十四-μ-氧合十二氧合[μ-12-(,Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, molybdophosphate (Mo12O36(PO4)))

CAS号:
67953-39-3
中文名称:
N-[4-[二[4-(二甲氨基)苯基]亚甲基]-2,5-环己二烯-1-亚基]-N-甲基甲铵二十四-μ-氧合十二氧合[μ-12-(
英文名称:
Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, molybdophosphate (Mo12O36(PO4))
分子式:
C76H94N9
分子量:
1133.61987829208

N-[4-[二[4-(二甲氨基)苯基]亚甲基]-2,5-环己二烯-1-亚基]-N-甲基甲铵二十四-μ-氧合十二氧合[μ-12-((67953-39-3)名称与标识符

名称

英文别名:
Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, molybdophosphate (Mo12O36(PO4));Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-O:O:O:O':O':O':O'':O'':O'':O''':O''':O'''))dodecamolybdate(3-) (3:1);[4-[bis(4-dimethylaminophenyl)methylene]-1-cyclohexa-2,5-dienylidene]-dimethyl-ammonium;methane;[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium,methane;-oxododecaoxo[μ-12-[phosphato-O:O:O:O': O':O':O'':O'':O'':O''': O''':O''']] dodecamolybdate;Methanaminium, N-[4-[bis[4-(dimethylamino) phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, molybdophosphate;NS00130274;DTXSID101015037;Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, tetracosa-.mu.-oxododecaoxo[.mu.12-[phosphato(3-)-.kappa.O:.kappa.O:.kappa.O:.kappa.O':.kappa.O':.kappa.O':.kappa.O'':.kappa.O'':.kappa.O'':.kappa.O''':.kappa.O''':.kappa.O''']]dodecamolybdate(3-) (3:1);67953-39-3;EINECS 267-951-3;Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-kappaO:kappaO:kappaO:kappaO':kappaO':kappaO':kappaO'':kappaO'':kappaO'':kappaO''':kappaO''':kappaO'''))dodecamolybdate(3-) (3:1);KPAYJMRLTWFKQV-UHFFFAOYSA-N;

标识符

InChIKey:
KPAYJMRLTWFKQV-UHFFFAOYSA-N
Inchi:
1S/3C25H30N3.CH4/c3*1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h3*7-18H,1-6H3;1H4/q3*+1;
SMILES:
N(C)(C)C1C=CC(=CC=1)C(=C1C=CC(C=C1)=[N+](C)C)C1C=CC(=CC=1)N(C)C.N(C)(C)C1C=CC(=CC=1)C(=C1C=CC(C=C1)=[N+](C)C)C1C=CC(=CC=1)N(C)C.N(C)(C)C1C=CC(=CC=1)C(=C1C=CC(C=C1)=[N+](C)C)C1C=CC(=CC=1)N(C)C.C |c:70,77,t:10,17,40,47|

N-[4-[二[4-(二甲氨基)苯基]亚甲基]-2,5-环己二烯-1-亚基]-N-甲基甲铵二十四-μ-氧合十二氧合[μ-12-((67953-39-3)物化性质

计算特性

  • 精确分子量 : 1132.76321904g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 12
  • 同位素质量 : 1132.76321904g/mol
  • 重原子数量 : 85
  • 复杂度 : 542
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 4
  • 拓扑分子极性表面积 : 28.5Ų