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

C116H98F2N8O2+4 — CID 160623830

IUPAC2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium
SMILESCOc1ccc(-c2c[n+](C)c(-c3ccc(OC)cc3C)c(-c3ccc4ccccc4c3)n2)cc1.Cc1cc(F)ccc1-c1c(-c2ccc3ccccc3c2)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccc(-c2c[n+](C)c(-c3ccc(C)cc3C)c(-c3ccc4ccccc4c3)n2)cc1.Cc1ccccc1-c1c(-c2ccc3ccccc3c2)nc(-c2ccccc2)c[n+]1C
InChIInChI=1S/C30H27N2O2.C30H27N2.C28H21F2N2.C28H23N2/c1-20-17-26(34-4)15-16-27(20)30-29(24-10-9-21-7-5-6-8-23(21)18-24)31-28(19-32(30)2)22-11-13-25(33-3)14-12-22;1-20-9-12-24(13-10-20)28-19-32(4)30(27-16-11-21(2)17-22(27)3)29(31-28)26-15-14-23-7-5-6-8-25(23)18-26;1-18-15-24(30)13-14-25(18)28-27(22-8-7-19-5-3-4-6-21(19)16-22)31-26(17-32(28)2)20-9-11-23(29)12-10-20;1-20-10-6-9-15-25(20)28-27(24-17-16-21-11-7-8-14-23(21)18-24)29-26(19-30(28)2)22-12-4-3-5-13-22/h5-19H,1-4H3;5-19H,1-4H3;3-17H,1-2H3;3-19H,1-2H3/q4*+1
InChIKeyHORJRRRYISMGDP-UHFFFAOYSA-N
MW1674.11 g/mol
LogP26.39
Rot. Bonds14

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

2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium (PubChem CID 160623830) has the molecular formula C116H98F2N8O2+4 and a molecular weight of 1674.11 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium
PubChem CID160623830
Molecular FormulaC116H98F2N8O2+4
Molecular Weight1674.11 g/mol
Exact Mass1672.78
IUPAC Name2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium
SMILESCOc1ccc(-c2c[n+](C)c(-c3ccc(OC)cc3C)c(-c3ccc4ccccc4c3)n2)cc1.Cc1cc(F)ccc1-c1c(-c2ccc3ccccc3c2)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccc(-c2c[n+](C)c(-c3ccc(C)cc3C)c(-c3ccc4ccccc4c3)n2)cc1.Cc1ccccc1-c1c(-c2ccc3ccccc3c2)nc(-c2ccccc2)c[n+]1C
InChIInChI=1S/C30H27N2O2.C30H27N2.C28H21F2N2.C28H23N2/c1-20-17-26(34-4)15-16-27(20)30-29(24-10-9-21-7-5-6-8-23(21)18-24)31-28(19-32(30)2)22-11-13-25(33-3)14-12-22;1-20-9-12-24(13-10-20)28-19-32(4)30(27-16-11-21(2)17-22(27)3)29(31-28)26-15-14-23-7-5-6-8-25(23)18-26;1-18-15-24(30)13-14-25(18)28-27(22-8-7-19-5-3-4-6-21(19)16-22)31-26(17-32(28)2)20-9-11-23(29)12-10-20;1-20-10-6-9-15-25(20)28-27(24-17-16-21-11-7-8-14-23(21)18-24)29-26(19-30(28)2)22-12-4-3-5-13-22/h5-19H,1-4H3;5-19H,1-4H3;3-17H,1-2H3;3-19H,1-2H3/q4*+1
InChIKeyHORJRRRYISMGDP-UHFFFAOYSA-N
XLogP26.39
TPSA85.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001674.11
LogP ≤ 526.39
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-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium with MolForge

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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-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium (CID 160623830) is 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium is COc1ccc(-c2c[n+](C)c(-c3ccc(OC)cc3C)c(-c3ccc4ccccc4c3)n2)cc1.Cc1cc(F)ccc1-c1c(-c2ccc3ccccc3c2)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccc(-c2c[n+](C)c(-c3ccc(C)cc3C)c(-c3ccc4ccccc4c3)n2)cc1.Cc1ccccc1-c1c(-c2ccc3ccccc3c2)nc(-c2ccccc2)c[n+]1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium?
The InChIKey is HORJRRRYISMGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N2O2.C30H27N2.C28H21F2N2.C28H23N2/c1-20-17-26(34-4)15-16-27(20)30-29(24-10-9-21-7-5-6-8-23(21)18-24)31-28(19-32(30)2)22-11-13-25(33-3)14-12-22;1-20-9-12-24(13-10-20)28-19-32(4)30(27-16-11-21(2)17-22(27)3)29(31-28)26-15-14-23-7-5-6-8-25(23)18-26;1-18-15-24(30)13-14-25(18)28-27(22-8-7-19-5-3-4-6-21(19)16-22)31-26(17-32(28)2)20-9-11-23(29)12-10-20;1-20-10-6-9-15-25(20)28-27(24-17-16-21-11-7-8-14-23(21)18-24)29-26(19-30(28)2)22-12-4-3-5-13-22/h5-19H,1-4H3;5-19H,1-4H3;3-17H,1-2H3;3-19H,1-2H3/q4*+1.
What are the key properties of 2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium?
2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium has a molecular weight of 1674.11 g/mol, XLogP of 26.39, 14 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-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methyl-3-naphthalen-2-ylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-naphthalen-2-yl-5-phenylpyrazin-1-ium is sourced from PubChem (CID 160623830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).