3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium

C221H187F11N16+8 — CID 160771770

IUPAC3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
SMILESCc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3C)[n+](C)c2C)cc1.Cc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3C)[n+](C)c2C)c1.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2c(F)c(F)c(F)c(F)c2F)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2cc(F)cc(F)c2)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccc(F)cc2)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccccc2)c(C)[n+]1C
InChIInChI=1S/C43H31N2.C26H22F3N2.2C26H25N2.C25H18F5N2.C25H21F2N2.C25H22FN2.C25H23N2/c1-28-14-6-7-17-31(28)42-41(29-15-4-3-5-16-29)44-40(27-45(42)2)30-24-25-35-34-20-10-13-23-38(34)43(39(35)26-30)36-21-11-8-18-32(36)33-19-9-12-22-37(33)43;1-17-9-7-8-12-22(17)25-24(19-10-5-4-6-11-19)30-23(18(2)31(25)3)20-13-15-21(16-14-20)26(27,28)29;1-18-11-10-15-22(17-18)24-20(3)28(4)26(23-16-9-8-12-19(23)2)25(27-24)21-13-6-5-7-14-21;1-18-14-16-22(17-15-18)24-20(3)28(4)26(23-13-9-8-10-19(23)2)25(27-24)21-11-6-5-7-12-21;1-13-9-7-8-12-16(13)25-24(15-10-5-4-6-11-15)31-23(14(2)32(25)3)17-18(26)20(28)22(30)21(29)19(17)27;1-16-9-7-8-12-22(16)25-24(18-10-5-4-6-11-18)28-23(17(2)29(25)3)19-13-20(26)15-21(27)14-19;1-17-9-7-8-12-22(17)25-24(19-10-5-4-6-11-19)27-23(18(2)28(25)3)20-13-15-21(26)16-14-20;1-18-12-10-11-17-22(18)25-24(21-15-8-5-9-16-21)26-23(19(2)27(25)3)20-13-6-4-7-14-20/h3-27H,1-2H3;4-16H,1-3H3;2*5-17H,1-4H3;4-12H,1-3H3;4-15H,1-3H3;4-16H,1-3H3;4-17H,1-3H3/q8*+1
InChIKeyHKHYKLIDPNHTKZ-UHFFFAOYSA-N
MW3276.02 g/mol
LogP50.98
Rot. Bonds24

About 3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium

3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium (PubChem CID 160771770) has the molecular formula C221H187F11N16+8 and a molecular weight of 3276.02 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
PubChem CID160771770
Molecular FormulaC221H187F11N16+8
Molecular Weight3276.02 g/mol
Exact Mass3273.49
IUPAC Name3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
SMILESCc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3C)[n+](C)c2C)cc1.Cc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3C)[n+](C)c2C)c1.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2c(F)c(F)c(F)c(F)c2F)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2cc(F)cc(F)c2)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccc(F)cc2)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccccc2)c(C)[n+]1C
InChIInChI=1S/C43H31N2.C26H22F3N2.2C26H25N2.C25H18F5N2.C25H21F2N2.C25H22FN2.C25H23N2/c1-28-14-6-7-17-31(28)42-41(29-15-4-3-5-16-29)44-40(27-45(42)2)30-24-25-35-34-20-10-13-23-38(34)43(39(35)26-30)36-21-11-8-18-32(36)33-19-9-12-22-37(33)43;1-17-9-7-8-12-22(17)25-24(19-10-5-4-6-11-19)30-23(18(2)31(25)3)20-13-15-21(16-14-20)26(27,28)29;1-18-11-10-15-22(17-18)24-20(3)28(4)26(23-16-9-8-12-19(23)2)25(27-24)21-13-6-5-7-14-21;1-18-14-16-22(17-15-18)24-20(3)28(4)26(23-13-9-8-10-19(23)2)25(27-24)21-11-6-5-7-12-21;1-13-9-7-8-12-16(13)25-24(15-10-5-4-6-11-15)31-23(14(2)32(25)3)17-18(26)20(28)22(30)21(29)19(17)27;1-16-9-7-8-12-22(16)25-24(18-10-5-4-6-11-18)28-23(17(2)29(25)3)19-13-20(26)15-21(27)14-19;1-17-9-7-8-12-22(17)25-24(19-10-5-4-6-11-19)27-23(18(2)28(25)3)20-13-15-21(26)16-14-20;1-18-12-10-11-17-22(18)25-24(21-15-8-5-9-16-21)26-23(19(2)27(25)3)20-13-6-4-7-14-20/h3-27H,1-2H3;4-16H,1-3H3;2*5-17H,1-4H3;4-12H,1-3H3;4-15H,1-3H3;4-16H,1-3H3;4-17H,1-3H3/q8*+1
InChIKeyHKHYKLIDPNHTKZ-UHFFFAOYSA-N
XLogP50.98
TPSA134.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms248
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003276.02
LogP ≤ 550.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium
CID 160771049
5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium
CID 58991387
3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
CID 160656237
1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium
CID 58991414
3-(9,9-dimethylfluoren-2-yl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium
CID 58991398
5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
CID 157205318
1,3-dimethyl-2-(2-methylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
CID 58991322
2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium
CID 58991444
1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)pyrazin-1-ium
CID 58991449
1-methyl-2-(2-methylphenyl)-5-phenyl-3-(4-phenylphenyl)pyrazin-1-ium
CID 58991462
5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium
CID 158376889
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium?
The IUPAC name of 3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium (CID 160771770) is 3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium?
The canonical SMILES for 3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium is Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3C)[n+](C)c2C)cc1.Cc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3C)[n+](C)c2C)c1.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2c(F)c(F)c(F)c(F)c2F)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2cc(F)cc(F)c2)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccc(F)cc2)c(C)[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c[n+]1C.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccccc2)c(C)[n+]1C.
What is the InChIKey of 3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium?
The InChIKey is HKHYKLIDPNHTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N2.C26H22F3N2.2C26H25N2.C25H18F5N2.C25H21F2N2.C25H22FN2.C25H23N2/c1-28-14-6-7-17-31(28)42-41(29-15-4-3-5-16-29)44-40(27-45(42)2)30-24-25-35-34-20-10-13-23-38(34)43(39(35)26-30)36-21-11-8-18-32(36)33-19-9-12-22-37(33)43;1-17-9-7-8-12-22(17)25-24(19-10-5-4-6-11-19)30-23(18(2)31(25)3)20-13-15-21(16-14-20)26(27,28)29;1-18-11-10-15-22(17-18)24-20(3)28(4)26(23-16-9-8-12-19(23)2)25(27-24)21-13-6-5-7-14-21;1-18-14-16-22(17-15-18)24-20(3)28(4)26(23-13-9-8-10-19(23)2)25(27-24)21-11-6-5-7-12-21;1-13-9-7-8-12-16(13)25-24(15-10-5-4-6-11-15)31-23(14(2)32(25)3)17-18(26)20(28)22(30)21(29)19(17)27;1-16-9-7-8-12-22(16)25-24(18-10-5-4-6-11-18)28-23(17(2)29(25)3)19-13-20(26)15-21(27)14-19;1-17-9-7-8-12-22(17)25-24(19-10-5-4-6-11-19)27-23(18(2)28(25)3)20-13-15-21(26)16-14-20;1-18-12-10-11-17-22(18)25-24(21-15-8-5-9-16-21)26-23(19(2)27(25)3)20-13-6-4-7-14-20/h3-27H,1-2H3;4-16H,1-3H3;2*5-17H,1-4H3;4-12H,1-3H3;4-15H,1-3H3;4-16H,1-3H3;4-17H,1-3H3/q8*+1.
What are the key properties of 3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium?
3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium has a molecular weight of 3276.02 g/mol, XLogP of 50.98, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium is sourced from PubChem (CID 160771770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).