2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline

C222H242F6N26O+12 — CID 159010418

IUPAC2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline
SMILESC=C/C(=C\C)N(c1ccccc1)c1ccc(-c2c(CC)ncc[n+]2C)c(C)c1.CCc1ncc[n+](C)c1-c1cc(-c2ccccc2)ccc1C.CCc1ncc[n+](C)c1-c1cc(F)cc(F)c1C.CCc1ncc[n+](C)c1-c1ccc(-c2ccccc2)cc1C.CCc1ncc[n+](C)c1-c1ccc(C(F)(F)F)cc1C.CCc1ncc[n+](C)c1-c1ccc(C)cc1C.CCc1ncc[n+](C)c1-c1ccc(F)cc1C.CCc1ncc[n+](C)c1-c1ccc(N(C)C)cc1C.CCc1ncc[n+](C)c1-c1ccc(OC)cc1C.CCc1ncc[n+](C)c1-c1ccccc1C.Cc1cc2c(cc1-c1c(C)ncc[n+]1C)C(C)(C)c1ccccc1-2.Cc1cc2c(cc1-c1c(C)ncc[n+]1C)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C32H25N2.C25H28N3.C22H23N2.2C20H21N2.C16H22N3.C15H16F3N2.C15H19N2O.C15H19N2.C14H15F2N2.C14H16FN2.C14H17N2/c1-20-18-26-24-12-6-9-15-29(24)32(30(26)19-25(20)31-21(2)33-16-17-34(31)3)27-13-7-4-10-22(27)23-11-5-8-14-28(23)32;1-6-20(7-2)28(21-12-10-9-11-13-21)22-14-15-23(19(4)18-22)25-24(8-3)26-16-17-27(25)5;1-14-12-18-16-8-6-7-9-19(16)22(3,4)20(18)13-17(14)21-15(2)23-10-11-24(21)5;1-4-19-20(22(3)13-12-21-19)18-11-10-17(14-15(18)2)16-8-6-5-7-9-16;1-4-19-20(22(3)13-12-21-19)18-14-17(11-10-15(18)2)16-8-6-5-7-9-16;1-6-15-16(19(5)10-9-17-15)14-8-7-13(18(3)4)11-12(14)2;1-4-13-14(20(3)8-7-19-13)12-6-5-11(9-10(12)2)15(16,17)18;1-5-14-15(17(3)9-8-16-14)13-7-6-12(18-4)10-11(13)2;1-5-14-15(17(4)9-8-16-14)13-7-6-11(2)10-12(13)3;1-4-13-14(18(3)6-5-17-13)11-7-10(15)8-12(16)9(11)2;1-4-13-14(17(3)8-7-16-13)12-6-5-11(15)9-10(12)2;1-4-13-14(16(3)10-9-15-13)12-8-6-5-7-11(12)2/h4-19H,1-3H3;6-7,9-18H,1,8H2,2-5H3;6-13H,1-5H3;2*5-14H,4H2,1-3H3;7-11H,6H2,1-5H3;5-9H,4H2,1-3H3;6-10H,5H2,1-4H3;6-10H,5H2,1-4H3;5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;5-10H,4H2,1-3H3/q12*+1/b;20-7+;;;;;;;;;;
InChIKeyNJDHJNONKUGXRV-RCQGOQHQSA-N
MW3404.55 g/mol
LogP43.85
Rot. Bonds30

About 2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline

2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline (PubChem CID 159010418) has the molecular formula C222H242F6N26O+12 and a molecular weight of 3404.55 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline.

Molecular Properties

Compound Name2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline
PubChem CID159010418
Molecular FormulaC222H242F6N26O+12
Molecular Weight3404.55 g/mol
Exact Mass3401.95
IUPAC Name2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline
SMILESC=C/C(=C\C)N(c1ccccc1)c1ccc(-c2c(CC)ncc[n+]2C)c(C)c1.CCc1ncc[n+](C)c1-c1cc(-c2ccccc2)ccc1C.CCc1ncc[n+](C)c1-c1cc(F)cc(F)c1C.CCc1ncc[n+](C)c1-c1ccc(-c2ccccc2)cc1C.CCc1ncc[n+](C)c1-c1ccc(C(F)(F)F)cc1C.CCc1ncc[n+](C)c1-c1ccc(C)cc1C.CCc1ncc[n+](C)c1-c1ccc(F)cc1C.CCc1ncc[n+](C)c1-c1ccc(N(C)C)cc1C.CCc1ncc[n+](C)c1-c1ccc(OC)cc1C.CCc1ncc[n+](C)c1-c1ccccc1C.Cc1cc2c(cc1-c1c(C)ncc[n+]1C)C(C)(C)c1ccccc1-2.Cc1cc2c(cc1-c1c(C)ncc[n+]1C)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C32H25N2.C25H28N3.C22H23N2.2C20H21N2.C16H22N3.C15H16F3N2.C15H19N2O.C15H19N2.C14H15F2N2.C14H16FN2.C14H17N2/c1-20-18-26-24-12-6-9-15-29(24)32(30(26)19-25(20)31-21(2)33-16-17-34(31)3)27-13-7-4-10-22(27)23-11-5-8-14-28(23)32;1-6-20(7-2)28(21-12-10-9-11-13-21)22-14-15-23(19(4)18-22)25-24(8-3)26-16-17-27(25)5;1-14-12-18-16-8-6-7-9-19(16)22(3,4)20(18)13-17(14)21-15(2)23-10-11-24(21)5;1-4-19-20(22(3)13-12-21-19)18-11-10-17(14-15(18)2)16-8-6-5-7-9-16;1-4-19-20(22(3)13-12-21-19)18-14-17(11-10-15(18)2)16-8-6-5-7-9-16;1-6-15-16(19(5)10-9-17-15)14-8-7-13(18(3)4)11-12(14)2;1-4-13-14(20(3)8-7-19-13)12-6-5-11(9-10(12)2)15(16,17)18;1-5-14-15(17(3)9-8-16-14)13-7-6-12(18-4)10-11(13)2;1-5-14-15(17(4)9-8-16-14)13-7-6-11(2)10-12(13)3;1-4-13-14(18(3)6-5-17-13)11-7-10(15)8-12(16)9(11)2;1-4-13-14(17(3)8-7-16-13)12-6-5-11(15)9-10(12)2;1-4-13-14(16(3)10-9-15-13)12-8-6-5-7-11(12)2/h4-19H,1-3H3;6-7,9-18H,1,8H2,2-5H3;6-13H,1-5H3;2*5-14H,4H2,1-3H3;7-11H,6H2,1-5H3;5-9H,4H2,1-3H3;6-10H,5H2,1-4H3;6-10H,5H2,1-4H3;5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;5-10H,4H2,1-3H3/q12*+1/b;20-7+;;;;;;;;;;
InChIKeyNJDHJNONKUGXRV-RCQGOQHQSA-N
XLogP43.85
TPSA216.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003404.55
LogP ≤ 543.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline with MolForge

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Launch Full Analysis

Related Compounds

5-[2-Fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine
CID 139441427
5-(3,5-Difluorophenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;5-(4-fluorophenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;methane;5-(4-methoxyphenyl)-1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyrazin-1-ium;[4-methyl-3-(2-methylphenyl)-6-phenylpyrazin-4-ium-2-yl]methanol;1,2,5-trimethyl-6-(2-methylphenyl)-3-phenylpyrazin-1-ium
CID 157174933
2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-2-fluoropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 157801975
2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
CID 157803903
3-[4-(3,5-Ditert-butylphenyl)-6-(2,4-difluorophenyl)-2-pyridinyl]isoquinoline;3-[4-(3,5-ditert-butylphenyl)-6-(3,4-difluorophenyl)-2-pyridinyl]isoquinoline;3-[4-(3,5-ditert-butylphenyl)-6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]isoquinoline;3-[4-(3,5-ditert-butylphenyl)-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]isoquinoline
CID 157968613
2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
CID 158071499
2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;N,N,4-trimethyl-3-(2-methylisoquinolin-2-ium-1-yl)aniline
CID 158562228
2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline
CID 158652582
N,N-diphenylnaphtho[2,1-f]quinolin-12-amine;12-(3-methoxy-5-methylphenyl)naphtho[2,1-f]quinoline;12-[3-methyl-5-(trifluoromethyl)phenyl]naphtho[2,1-f]quinoline;4-(4-naphtho[2,1-f]quinolin-12-ylphenyl)-N,N-diphenylaniline;N-phenyl-N-(2,3,4-trifluorophenyl)naphtho[2,1-f]quinolin-12-amine
CID 158662943
2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;7-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-ethyl-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium
CID 158768789
5-[2-(3,4-dimethoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
CID 158953713
1,2-Dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium
CID 159265207

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline?
The IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline (CID 159010418) is 2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline.
What is the SMILES notation for 2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline?
The canonical SMILES for 2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline is C=C/C(=C\C)N(c1ccccc1)c1ccc(-c2c(CC)ncc[n+]2C)c(C)c1.CCc1ncc[n+](C)c1-c1cc(-c2ccccc2)ccc1C.CCc1ncc[n+](C)c1-c1cc(F)cc(F)c1C.CCc1ncc[n+](C)c1-c1ccc(-c2ccccc2)cc1C.CCc1ncc[n+](C)c1-c1ccc(C(F)(F)F)cc1C.CCc1ncc[n+](C)c1-c1ccc(C)cc1C.CCc1ncc[n+](C)c1-c1ccc(F)cc1C.CCc1ncc[n+](C)c1-c1ccc(N(C)C)cc1C.CCc1ncc[n+](C)c1-c1ccc(OC)cc1C.CCc1ncc[n+](C)c1-c1ccccc1C.Cc1cc2c(cc1-c1c(C)ncc[n+]1C)C(C)(C)c1ccccc1-2.Cc1cc2c(cc1-c1c(C)ncc[n+]1C)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline?
The InChIKey is NJDHJNONKUGXRV-RCQGOQHQSA-N. The full InChI is InChI=1S/C32H25N2.C25H28N3.C22H23N2.2C20H21N2.C16H22N3.C15H16F3N2.C15H19N2O.C15H19N2.C14H15F2N2.C14H16FN2.C14H17N2/c1-20-18-26-24-12-6-9-15-29(24)32(30(26)19-25(20)31-21(2)33-16-17-34(31)3)27-13-7-4-10-22(27)23-11-5-8-14-28(23)32;1-6-20(7-2)28(21-12-10-9-11-13-21)22-14-15-23(19(4)18-22)25-24(8-3)26-16-17-27(25)5;1-14-12-18-16-8-6-7-9-19(16)22(3,4)20(18)13-17(14)21-15(2)23-10-11-24(21)5;1-4-19-20(22(3)13-12-21-19)18-11-10-17(14-15(18)2)16-8-6-5-7-9-16;1-4-19-20(22(3)13-12-21-19)18-14-17(11-10-15(18)2)16-8-6-5-7-9-16;1-6-15-16(19(5)10-9-17-15)14-8-7-13(18(3)4)11-12(14)2;1-4-13-14(20(3)8-7-19-13)12-6-5-11(9-10(12)2)15(16,17)18;1-5-14-15(17(3)9-8-16-14)13-7-6-12(18-4)10-11(13)2;1-5-14-15(17(4)9-8-16-14)13-7-6-11(2)10-12(13)3;1-4-13-14(18(3)6-5-17-13)11-7-10(15)8-12(16)9(11)2;1-4-13-14(17(3)8-7-16-13)12-6-5-11(15)9-10(12)2;1-4-13-14(16(3)10-9-15-13)12-8-6-5-7-11(12)2/h4-19H,1-3H3;6-7,9-18H,1,8H2,2-5H3;6-13H,1-5H3;2*5-14H,4H2,1-3H3;7-11H,6H2,1-5H3;5-9H,4H2,1-3H3;6-10H,5H2,1-4H3;6-10H,5H2,1-4H3;5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;5-10H,4H2,1-3H3/q12*+1/b;20-7+;;;;;;;;;;.
What are the key properties of 2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline?
2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline has a molecular weight of 3404.55 g/mol, XLogP of 43.85, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-methylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-3-ethyl-1-methylpyrazin-1-ium;1,3-dimethyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;3-ethyl-2-(4-fluoro-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-2-(4-methoxy-2-methylphenyl)-1-methylpyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-(2-methylphenyl)pyrazin-1-ium;3-ethyl-1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-3-methyl-N-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline;4-(3-ethyl-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline is sourced from PubChem (CID 159010418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).