[4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine

C159H225N37O3+10 — CID 157235653

IUPAC[4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine
SMILESC.C.C.C.C.C.C.C.C.C.CC1COc2cc(/N=N/c3cc[n+](C)n3C)ccc2N1C.CN(C#CN)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1.CN(C)c1ccc(C=Cc2cc[n+](C)cc2)cc1.CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1.CN1CCOc2cc(C=Cc3cc[n+](C)cc3)ccc21.CNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.Cc1cc(/N=N/c2ccc3c(c2)CC(C)N3C)[n+](C)n1C.Cc1cc(N(C)C)ccc1C=Cc1cc[n+](CO)cc1.Cn1nc[n+](C)c1/N=N/c1ccc(N)cc1
InChIInChI=1S/C17H18N3.C17H19N2O.C17H21N2O.C16H22N5.2C16H19N2.C15H20N5O.C13H18N5.C12H15N5.C10H12N6.10CH4/c1-19-12-9-16(10-13-19)4-3-15-5-7-17(8-6-15)20(2)14-11-18;1-18-9-7-14(8-10-18)3-4-15-5-6-16-17(13-15)20-12-11-19(16)2;1-14-12-17(18(2)3)7-6-16(14)5-4-15-8-10-19(13-20)11-9-15;1-11-8-13-10-14(6-7-15(13)19(11)3)17-18-16-9-12(2)20(4)21(16)5;1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15;1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;1-11-10-21-14-9-12(5-6-13(14)19(11)3)16-17-15-7-8-18(2)20(15)4;1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;1-15-7-12-16(2)10(15)14-13-9-5-3-8(11)4-6-9;;;;;;;;;;/h3-10,12-13H,18H2,1-2H3;3-10,13H,11-12H2,1-2H3;4-12,20H,13H2,1-3H3;6-7,9-11H,8H2,1-5H3;2*4-13H,1-3H3;5-9,11H,10H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;3-7,11H,1-2H3;10*1H4/q8*+1;;;;;;;;;;;;/p+2
InChIKeyCDGJJRGGITVZMS-UHFFFAOYSA-P
MW2702.80 g/mol
LogP30.15
Rot. Bonds27

About [4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine

[4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine (PubChem CID 157235653) has the molecular formula C159H225N37O3+10 and a molecular weight of 2702.80 g/mol. Its IUPAC name is [4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine.

Molecular Properties

Compound Name[4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine
PubChem CID157235653
Molecular FormulaC159H225N37O3+10
Molecular Weight2702.80 g/mol
Exact Mass2700.85
IUPAC Name[4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine
SMILESC.C.C.C.C.C.C.C.C.C.CC1COc2cc(/N=N/c3cc[n+](C)n3C)ccc2N1C.CN(C#CN)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1.CN(C)c1ccc(C=Cc2cc[n+](C)cc2)cc1.CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1.CN1CCOc2cc(C=Cc3cc[n+](C)cc3)ccc21.CNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.Cc1cc(/N=N/c2ccc3c(c2)CC(C)N3C)[n+](C)n1C.Cc1cc(N(C)C)ccc1C=Cc1cc[n+](CO)cc1.Cn1nc[n+](C)c1/N=N/c1ccc(N)cc1
InChIInChI=1S/C17H18N3.C17H19N2O.C17H21N2O.C16H22N5.2C16H19N2.C15H20N5O.C13H18N5.C12H15N5.C10H12N6.10CH4/c1-19-12-9-16(10-13-19)4-3-15-5-7-17(8-6-15)20(2)14-11-18;1-18-9-7-14(8-10-18)3-4-15-5-6-16-17(13-15)20-12-11-19(16)2;1-14-12-17(18(2)3)7-6-16(14)5-4-15-8-10-19(13-20)11-9-15;1-11-8-13-10-14(6-7-15(13)19(11)3)17-18-16-9-12(2)20(4)21(16)5;1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15;1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;1-11-10-21-14-9-12(5-6-13(14)19(11)3)16-17-15-7-8-18(2)20(15)4;1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;1-15-7-12-16(2)10(15)14-13-9-5-3-8(11)4-6-9;;;;;;;;;;/h3-10,12-13H,18H2,1-2H3;3-10,13H,11-12H2,1-2H3;4-12,20H,13H2,1-3H3;6-7,9-11H,8H2,1-5H3;2*4-13H,1-3H3;5-9,11H,10H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;3-7,11H,1-2H3;10*1H4/q8*+1;;;;;;;;;;;;/p+2
InChIKeyCDGJJRGGITVZMS-UHFFFAOYSA-P
XLogP30.15
TPSA328.62 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002702.80
LogP ≤ 530.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine?
The IUPAC name of [4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine (CID 157235653) is [4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine.
What is the SMILES notation for [4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine?
The canonical SMILES for [4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine is C.C.C.C.C.C.C.C.C.C.CC1COc2cc(/N=N/c3cc[n+](C)n3C)ccc2N1C.CN(C#CN)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1.CN(C)c1ccc(C=Cc2cc[n+](C)cc2)cc1.CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1.CN1CCOc2cc(C=Cc3cc[n+](C)cc3)ccc21.CNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.Cc1cc(/N=N/c2ccc3c(c2)CC(C)N3C)[n+](C)n1C.Cc1cc(N(C)C)ccc1C=Cc1cc[n+](CO)cc1.Cn1nc[n+](C)c1/N=N/c1ccc(N)cc1.
What is the InChIKey of [4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine?
The InChIKey is CDGJJRGGITVZMS-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H18N3.C17H19N2O.C17H21N2O.C16H22N5.2C16H19N2.C15H20N5O.C13H18N5.C12H15N5.C10H12N6.10CH4/c1-19-12-9-16(10-13-19)4-3-15-5-7-17(8-6-15)20(2)14-11-18;1-18-9-7-14(8-10-18)3-4-15-5-6-16-17(13-15)20-12-11-19(16)2;1-14-12-17(18(2)3)7-6-16(14)5-4-15-8-10-19(13-20)11-9-15;1-11-8-13-10-14(6-7-15(13)19(11)3)17-18-16-9-12(2)20(4)21(16)5;1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15;1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;1-11-10-21-14-9-12(5-6-13(14)19(11)3)16-17-15-7-8-18(2)20(15)4;1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;1-15-7-12-16(2)10(15)14-13-9-5-3-8(11)4-6-9;;;;;;;;;;/h3-10,12-13H,18H2,1-2H3;3-10,13H,11-12H2,1-2H3;4-12,20H,13H2,1-3H3;6-7,9-11H,8H2,1-5H3;2*4-13H,1-3H3;5-9,11H,10H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;3-7,11H,1-2H3;10*1H4/q8*+1;;;;;;;;;;;;/p+2.
What are the key properties of [4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine?
[4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine has a molecular weight of 2702.80 g/mol, XLogP of 30.15, 27 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(dimethylamino)-2-methylphenyl]ethenyl]pyridin-1-ium-1-yl]methanol;(3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-(1,2-dimethylpyrazol-1-ium-3-yl)diazene;(1,2-dimethyl-2,3-dihydroindol-5-yl)-(1,2,5-trimethylpyrazol-2-ium-3-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]aniline;methane;4-methyl-7-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine;N'-methyl-N'-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethyne-1,2-diamine is sourced from PubChem (CID 157235653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).