14426-25-6 (三[4-(二甲基氨基)苯基] -甲紫,Methylium,tris[4-(dimethylamino)phenyl]-)

CAS号:
14426-25-6
中文名称:
三[4-(二甲基氨基)苯基] -甲紫
英文名称:
Methylium,tris[4-(dimethylamino)phenyl]-
分子式:
C25H30N3
分子量:
372.525805950165

三[4-(二甲基氨基)苯基] -甲紫(14426-25-6)名称与标识符

名称

中文别名:
三[4-(二甲基氨基)苯基] -甲紫;
英文别名:
Methylium,tris[4-(dimethylamino)phenyl]-;bis[p-(dimethylamino)phenyl][p-(dimethylammonio)phenyl]methylium;Bis(p-(dimethylamino)phenyl)(p-(dimethylammonio)phenyl)methylium;Methylium, tris(4-(dimethylamino)phenyl)-;N-(4-{bis[4-(dimethylamino)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium;Einecs 238-398-5;Tris[4-(dimethylamino)phenyl]methanide;A845487;Spectrum2_001088;KBio2_001309;NINDS_000031;DB00406;CHEBI:77181;SBI-0051393.P003;crystal violet carbocation;GNF-PF-880;Spectrum5_000754;AB00443808-03;7438-46-2;Crystal Violet (quat N+);Gentian violet cation;BDBM50052802;NCI60_002648;[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;methylrosanilinium;(4-(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride;AKOS005208606;gentian violet(1+);SCHEMBL94116;[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium;Crystal-violet;crystal violet(1+);KBioGR_000968;NS00015624;BRD-K60025295-003-02-5;N-[4-[Bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadiene-1-ylidene]-N-methylmethanaminium;KBioSS_001309;Crystal Violet ion(1+);METHYLROSANILINIUM [WHO-DD];DTXSID10873000;Spectrum3_000442;UNII-3GVJ31T6YY;4-{bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium;Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-;BSPBio_002084;IDI1_000031;N-(4-(bis(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium;AB00443808_06;[4-[bis[4-(dimethylamino)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium;Crystal Violet Base;NCGC00091112-08;NSC271967;Spectrum_000829;GV-Eleven;NCGC00091112-03;KBio2_003877;[4-[bis(4-dimethylaminophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium;4-(bis(4-(dimethylamino)phenyl)methylene)-N,N-dimethylcyclohexa-2,5-dien-1-iminium;NCGC00091112-05;3GVJ31T6YY;14426-25-6;NCGC00091112-06;SPBio_001136;KBio1_000031;AB00443808_05;InChI=1/C25H30N3/c1-26(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/h7-18H,1-6H3/q+;KBio3_001304;Crystal violet ion(1);KBio2_006445;DivK1c_000031;tris(4-dimethylaminophenyl)-methylium;CHEMBL459265;gentian violet carbocation;Hexamethyl pararosaniline;SJ000140980;Spectrum4_000564;Crystal violet cation;NCGC00091112-04;Q63390508;Basic Violet-3;BRD-K60025295-003-03-3;MMV665941;NCGC00091112-07;NS00087087;[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-dimethylazanium;

标识符

InChIKey:
LGLFFNDHMLKUMI-UHFFFAOYSA-N
Inchi:
1S/C25H30N3/c1-26(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/h7-18H,1-6H3/q+1
SMILES:
N(C)(C)C1C=CC(=CC=1)C(=C1C=CC(C=C1)=[N+](C)C)C1C=CC(=CC=1)N(C)C |c:10,17|

三[4-(二甲基氨基)苯基] -甲紫(14426-25-6)物化性质

实验特性

  • LogP : 3.18

计算特性

  • 精确分子量 : 372.243972970g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 4
  • 同位素质量 : 372.243972970g/mol
  • 重原子数量 : 28
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 4.9
  • 拓扑分子极性表面积 : 9.5Ų

三[4-(二甲基氨基)苯基] -甲紫(14426-25-6)相关文献