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-(磷酸 (3-)-O:O:O:O':O':O':O'':O''O'':O' '':O''':O''')]十二钼酸盐(3-)(3:1)

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) · CAS 67953-39-3

中文名: 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-(磷酸 (3-)-O:O:O:O':O':O':O'':O''O'':O' '':O''':O''')]十二钼酸盐(3-)(3:1)
中文别名: 暂无
英文名: 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)
CAS: 67953-39-3
CID: 11979713
IUPAC 名称: tris([4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);methane

名称与编号

中文名: 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-(磷酸 (3-)-O:O:O:O':O':O':O'':O''O'':O' '':O''':O''')]十二钼酸盐(3-)(3:1)
中文别名: 暂无
英文名: 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)
CAS: 67953-39-3
CID: 11979713
IUPAC 名称: tris([4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);methane

分子属性

分子式: C76H94N9+3
分子量: 1133.6 g/mol
精确质量: 1132.76321904 Da
单同位素质量: 1132.76321904 Da
XLogP: 暂无
极性表面积: 28.5 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 12
重原子数: 85
净电荷: 3
结构复杂度: 542

结构标识

InChIKey: KPAYJMRLTWFKQV-UHFFFAOYSA-N
SMILES: C.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C
InChI: 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;