2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium

C122H104F2N8O2+4 — CID 158877305

IUPAC2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium
SMILESCOc1ccc(-c2c[n+](C)c(-c3ccc(OC)cc3C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1.Cc1cc(F)ccc1-c1c(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccc(-c2c[n+](C)c(-c3ccc(C)cc3C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1.Cc1ccccc1-c1c(-c2cccc3ccccc23)nc(-c2ccccc2)c[n+]1C
InChIInChI=1S/C32H29N2O2.C32H29N2.C30H23F2N2.C28H23N2/c1-22-20-28(36-4)18-19-29(22)32-31(26-12-10-24(11-13-26)23-8-6-5-7-9-23)33-30(21-34(32)2)25-14-16-27(35-3)17-15-25;1-22-10-13-27(14-11-22)30-21-34(4)32(29-19-12-23(2)20-24(29)3)31(33-30)28-17-15-26(16-18-28)25-8-6-5-7-9-25;1-20-18-26(32)16-17-27(20)30-29(24-10-8-22(9-11-24)21-6-4-3-5-7-21)33-28(19-34(30)2)23-12-14-25(31)15-13-23;1-20-11-6-8-16-23(20)28-27(25-18-10-15-21-12-7-9-17-24(21)25)29-26(19-30(28)2)22-13-4-3-5-14-22/h5-21H,1-4H3;5-21H,1-4H3;3-19H,1-2H3;3-19H,1-2H3/q4*+1
InChIKeyOPPKYCQWJMGBAY-UHFFFAOYSA-N
MW1752.22 g/mol
LogP27.93
Rot. Bonds17

About 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium

2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium (PubChem CID 158877305) has the molecular formula C122H104F2N8O2+4 and a molecular weight of 1752.22 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium
PubChem CID158877305
Molecular FormulaC122H104F2N8O2+4
Molecular Weight1752.22 g/mol
Exact Mass1750.82
IUPAC Name2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium
SMILESCOc1ccc(-c2c[n+](C)c(-c3ccc(OC)cc3C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1.Cc1cc(F)ccc1-c1c(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccc(-c2c[n+](C)c(-c3ccc(C)cc3C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1.Cc1ccccc1-c1c(-c2cccc3ccccc23)nc(-c2ccccc2)c[n+]1C
InChIInChI=1S/C32H29N2O2.C32H29N2.C30H23F2N2.C28H23N2/c1-22-20-28(36-4)18-19-29(22)32-31(26-12-10-24(11-13-26)23-8-6-5-7-9-23)33-30(21-34(32)2)25-14-16-27(35-3)17-15-25;1-22-10-13-27(14-11-22)30-21-34(4)32(29-19-12-23(2)20-24(29)3)31(33-30)28-17-15-26(16-18-28)25-8-6-5-7-9-25;1-20-18-26(32)16-17-27(20)30-29(24-10-8-22(9-11-24)21-6-4-3-5-7-21)33-28(19-34(30)2)23-12-14-25(31)15-13-23;1-20-11-6-8-16-23(20)28-27(25-18-10-15-21-12-7-9-17-24(21)25)29-26(19-30(28)2)22-13-4-3-5-14-22/h5-21H,1-4H3;5-21H,1-4H3;3-19H,1-2H3;3-19H,1-2H3/q4*+1
InChIKeyOPPKYCQWJMGBAY-UHFFFAOYSA-N
XLogP27.93
TPSA85.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001752.22
LogP ≤ 527.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-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

1-(4-Methoxyphenyl)-3-naphthalen-1-ylbenzo[f][1,7]naphthyridine
CID 137647266
3-[2,4-Bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137651159
1-(4-Methoxyphenyl)-3-naphthalen-2-ylbenzo[f][1,7]naphthyridine
CID 137652202
3-(4-Methoxynaphthalen-1-yl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137652530
5,20-bis[(E)-2-(2-methoxy-1-naphthyl)vinyl]-12,13-dimethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate
CID 176457286
5,20-bis[(E)-2-(4-methoxy-1-naphthyl)vinyl]-12,13-dimethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate
CID 176457387
4-[9-(4-Fluorophenyl)-2,3-dimethoxypyrazino[2,1-a]isoquinolin-11-yl]-1,2-dimet hoxybenzene
CID 17233935
2-[4-Fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine
CID 134833888
4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
6,6'-(4,4'-Di-tert-butyl-5,5'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908885
2-(5'-(Benzyloxy)-4,4'-di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908907
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium (CID 158877305) is 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium is COc1ccc(-c2c[n+](C)c(-c3ccc(OC)cc3C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1.Cc1cc(F)ccc1-c1c(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccc(-c2c[n+](C)c(-c3ccc(C)cc3C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1.Cc1ccccc1-c1c(-c2cccc3ccccc23)nc(-c2ccccc2)c[n+]1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium?
The InChIKey is OPPKYCQWJMGBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N2O2.C32H29N2.C30H23F2N2.C28H23N2/c1-22-20-28(36-4)18-19-29(22)32-31(26-12-10-24(11-13-26)23-8-6-5-7-9-23)33-30(21-34(32)2)25-14-16-27(35-3)17-15-25;1-22-10-13-27(14-11-22)30-21-34(4)32(29-19-12-23(2)20-24(29)3)31(33-30)28-17-15-26(16-18-28)25-8-6-5-7-9-25;1-20-18-26(32)16-17-27(20)30-29(24-10-8-22(9-11-24)21-6-4-3-5-7-21)33-28(19-34(30)2)23-12-14-25(31)15-13-23;1-20-11-6-8-16-23(20)28-27(25-18-10-15-21-12-7-9-17-24(21)25)29-26(19-30(28)2)22-13-4-3-5-14-22/h5-21H,1-4H3;5-21H,1-4H3;3-19H,1-2H3;3-19H,1-2H3/q4*+1.
What are the key properties of 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium?
2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium has a molecular weight of 1752.22 g/mol, XLogP of 27.93, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium is sourced from PubChem (CID 158877305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).