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

C182H200F11N18O2+9 — CID 157174933

IUPAC5-(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
SMILESC.C.C.C.C.C.C.C.C.COc1ccc(-c2c[n+](C)c(-c3ccccc3C)c(C)n2)cc1.Cc1ccccc1-c1c(C)nc(-c2c(F)c(F)c(F)c(F)c2F)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2cc(F)cc(F)c2)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccc(C(F)(F)F)cc2)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccccc2)c(C)[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccccc2)c[n+]1C.Cc1ccccc1-c1c(CO)nc(-c2ccccc2)c[n+]1C.Cc1ccccc1-c1cnc(-c2ccccc2)c[n+]1C
InChIInChI=1S/C20H18F3N2.C20H21N2O.C20H21N2.C19H14F5N2.C19H17F2N2.C19H18FN2.C19H19N2O.C19H19N2.C18H17N2.9CH4/c1-13-6-4-5-7-17(13)19-14(2)24-18(12-25(19)3)15-8-10-16(11-9-15)20(21,22)23;1-14-7-5-6-8-18(14)20-15(2)21-19(13-22(20)3)16-9-11-17(23-4)12-10-16;1-14-10-8-9-13-18(14)20-15(2)21-19(16(3)22(20)4)17-11-6-5-7-12-17;1-9-6-4-5-7-11(9)19-10(2)25-12(8-26(19)3)13-14(20)16(22)18(24)17(23)15(13)21;1-12-6-4-5-7-17(12)19-13(2)22-18(11-23(19)3)14-8-15(20)10-16(21)9-14;1-13-6-4-5-7-17(13)19-14(2)21-18(12-22(19)3)15-8-10-16(20)11-9-15;1-14-8-6-7-11-16(14)19-18(13-22)20-17(12-21(19)2)15-9-4-3-5-10-15;1-14-9-7-8-12-17(14)19-15(2)20-18(13-21(19)3)16-10-5-4-6-11-16;1-14-8-6-7-11-16(14)18-12-19-17(13-20(18)2)15-9-4-3-5-10-15;;;;;;;;;/h4-12H,1-3H3;5-13H,1-4H3;5-13H,1-4H3;4-8H,1-3H3;4-11H,1-3H3;4-12H,1-3H3;3-12,22H,13H2,1-2H3;4-13H,1-3H3;3-13H,1-2H3;9*1H4/q9*+1;;;;;;;;;
InChIKeyFQUDBRVDAATVIA-UHFFFAOYSA-N
MW2880.70 g/mol
LogP41.76
Rot. Bonds20

About 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

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 (PubChem CID 157174933) has the molecular formula C182H200F11N18O2+9 and a molecular weight of 2880.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID157174933
Molecular FormulaC182H200F11N18O2+9
Molecular Weight2880.70 g/mol
Exact Mass2878.59
IUPAC Name5-(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
SMILESC.C.C.C.C.C.C.C.C.COc1ccc(-c2c[n+](C)c(-c3ccccc3C)c(C)n2)cc1.Cc1ccccc1-c1c(C)nc(-c2c(F)c(F)c(F)c(F)c2F)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2cc(F)cc(F)c2)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccc(C(F)(F)F)cc2)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccccc2)c(C)[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccccc2)c[n+]1C.Cc1ccccc1-c1c(CO)nc(-c2ccccc2)c[n+]1C.Cc1ccccc1-c1cnc(-c2ccccc2)c[n+]1C
InChIInChI=1S/C20H18F3N2.C20H21N2O.C20H21N2.C19H14F5N2.C19H17F2N2.C19H18FN2.C19H19N2O.C19H19N2.C18H17N2.9CH4/c1-13-6-4-5-7-17(13)19-14(2)24-18(12-25(19)3)15-8-10-16(11-9-15)20(21,22)23;1-14-7-5-6-8-18(14)20-15(2)21-19(13-22(20)3)16-9-11-17(23-4)12-10-16;1-14-10-8-9-13-18(14)20-15(2)21-19(16(3)22(20)4)17-11-6-5-7-12-17;1-9-6-4-5-7-11(9)19-10(2)25-12(8-26(19)3)13-14(20)16(22)18(24)17(23)15(13)21;1-12-6-4-5-7-17(12)19-13(2)22-18(11-23(19)3)14-8-15(20)10-16(21)9-14;1-13-6-4-5-7-17(13)19-14(2)21-18(12-22(19)3)15-8-10-16(20)11-9-15;1-14-8-6-7-11-16(14)19-18(13-22)20-17(12-21(19)2)15-9-4-3-5-10-15;1-14-9-7-8-12-17(14)19-15(2)20-18(13-21(19)3)16-10-5-4-6-11-16;1-14-8-6-7-11-16(14)18-12-19-17(13-20(18)2)15-9-4-3-5-10-15;;;;;;;;;/h4-12H,1-3H3;5-13H,1-4H3;5-13H,1-4H3;4-8H,1-3H3;4-11H,1-3H3;4-12H,1-3H3;3-12,22H,13H2,1-2H3;4-13H,1-3H3;3-13H,1-2H3;9*1H4/q9*+1;;;;;;;;;
InChIKeyFQUDBRVDAATVIA-UHFFFAOYSA-N
XLogP41.76
TPSA180.39 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002880.70
LogP ≤ 541.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
2-[[3-Methyl-4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]pyridine;3-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-5-[4-(trifluoromethyl)phenyl]pyridine
CID 87697636
(1R,2S)-1-[2-(2,4-dimethylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(2-fluorophenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-2-morpholin-4-yl-2-pyridin-3-yl-1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]ethanol
CID 91593758
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
2-[[1-Methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridin-2-yl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
CID 143618655
2,4-difluoro-1-propan-2-ylbenzene;6,7-dimethyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;tris(6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline);6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-5-(trifluoromethyl)pyrazine
CID 157710638
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-(Difluoromethoxy)propane;3-fluoro-5-methoxy-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane
CID 158448264
2-(3-Fluoro-5-methylphenyl)-3-methylpyrazine;2-(4-methoxyphenyl)-3-methylpyrazine;2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 158551275
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
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
8,13-Bis(3-fluorophenyl)-5-naphthalen-2-yl-6,10-diphenylbenzo[a]tetracene;8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,10-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,10-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,10-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine
CID 159260804

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.C.C.C.COc1ccc(-c2c[n+](C)c(-c3ccccc3C)c(C)n2)cc1.Cc1ccccc1-c1c(C)nc(-c2c(F)c(F)c(F)c(F)c2F)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2cc(F)cc(F)c2)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccc(C(F)(F)F)cc2)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccccc2)c(C)[n+]1C.Cc1ccccc1-c1c(C)nc(-c2ccccc2)c[n+]1C.Cc1ccccc1-c1c(CO)nc(-c2ccccc2)c[n+]1C.Cc1ccccc1-c1cnc(-c2ccccc2)c[n+]1C.
What is the InChIKey of 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?
The InChIKey is FQUDBRVDAATVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N2.C20H21N2O.C20H21N2.C19H14F5N2.C19H17F2N2.C19H18FN2.C19H19N2O.C19H19N2.C18H17N2.9CH4/c1-13-6-4-5-7-17(13)19-14(2)24-18(12-25(19)3)15-8-10-16(11-9-15)20(21,22)23;1-14-7-5-6-8-18(14)20-15(2)21-19(13-22(20)3)16-9-11-17(23-4)12-10-16;1-14-10-8-9-13-18(14)20-15(2)21-19(16(3)22(20)4)17-11-6-5-7-12-17;1-9-6-4-5-7-11(9)19-10(2)25-12(8-26(19)3)13-14(20)16(22)18(24)17(23)15(13)21;1-12-6-4-5-7-17(12)19-13(2)22-18(11-23(19)3)14-8-15(20)10-16(21)9-14;1-13-6-4-5-7-17(13)19-14(2)21-18(12-22(19)3)15-8-10-16(20)11-9-15;1-14-8-6-7-11-16(14)19-18(13-22)20-17(12-21(19)2)15-9-4-3-5-10-15;1-14-9-7-8-12-17(14)19-15(2)20-18(13-21(19)3)16-10-5-4-6-11-16;1-14-8-6-7-11-16(14)18-12-19-17(13-20(18)2)15-9-4-3-5-10-15;;;;;;;;;/h4-12H,1-3H3;5-13H,1-4H3;5-13H,1-4H3;4-8H,1-3H3;4-11H,1-3H3;4-12H,1-3H3;3-12,22H,13H2,1-2H3;4-13H,1-3H3;3-13H,1-2H3;9*1H4/q9*+1;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2880.70 g/mol, XLogP of 41.76, 20 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157174933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).