4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium

C84H82N6+6 — CID 161128018

IUPAC4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium
SMILESCc1ccc(-c2cc(-c3ccccc3C)[n+](C)c(-c3cccc[n+]3C)c2)c(C)c1.Cc1ccc(-c2cc(-c3ccccc3C)[n+](C)c(-c3cccc[n+]3C)c2)cc1.Cc1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2cccc[n+]2C)[n+]1C
InChIInChI=1S/C31H28N2.C27H28N2.C26H26N2/c1-23-11-7-8-14-28(23)30-21-27(22-31(33(30)3)29-15-9-10-20-32(29)2)26-18-16-25(17-19-26)24-12-5-4-6-13-24;1-19-13-14-23(21(3)16-19)22-17-26(24-11-7-6-10-20(24)2)29(5)27(18-22)25-12-8-9-15-28(25)4;1-19-12-14-21(15-13-19)22-17-25(23-10-6-5-9-20(23)2)28(4)26(18-22)24-11-7-8-16-27(24)3/h4-22H,1-3H3;6-18H,1-5H3;5-18H,1-4H3/q3*+2
InChIKeyJQLHPTILZAOJIX-UHFFFAOYSA-N
MW1175.62 g/mol
LogP16.53
Rot. Bonds10

About 4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium

4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium (PubChem CID 161128018) has the molecular formula C84H82N6+6 and a molecular weight of 1175.62 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium
PubChem CID161128018
Molecular FormulaC84H82N6+6
Molecular Weight1175.62 g/mol
Exact Mass1174.66
IUPAC Name4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium
SMILESCc1ccc(-c2cc(-c3ccccc3C)[n+](C)c(-c3cccc[n+]3C)c2)c(C)c1.Cc1ccc(-c2cc(-c3ccccc3C)[n+](C)c(-c3cccc[n+]3C)c2)cc1.Cc1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2cccc[n+]2C)[n+]1C
InChIInChI=1S/C31H28N2.C27H28N2.C26H26N2/c1-23-11-7-8-14-28(23)30-21-27(22-31(33(30)3)29-15-9-10-20-32(29)2)26-18-16-25(17-19-26)24-12-5-4-6-13-24;1-19-13-14-23(21(3)16-19)22-17-26(24-11-7-6-10-20(24)2)29(5)27(18-22)25-12-8-9-15-28(25)4;1-19-12-14-21(15-13-19)22-17-25(23-10-6-5-9-20(23)2)28(4)26(18-22)24-11-7-8-16-27(24)3/h4-22H,1-3H3;6-18H,1-5H3;5-18H,1-4H3/q3*+2
InChIKeyJQLHPTILZAOJIX-UHFFFAOYSA-N
XLogP16.53
TPSA23.28 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.62
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium with MolForge

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Related Compounds

4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium
CID 160888314
1-(2,4-dimethylphenyl)-3,5-diphenylbenzene
CID 20766179
2-(2,4-dimethylphenyl)-1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 140944473
1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
CID 163934955
1-methyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenylpyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium
CID 161457382
1-methyl-2-(2-methylphenyl)-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenylpyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium
CID 158140445
2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;1-methyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 161493951
1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium
CID 158421974
3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881406
4-tert-butyl-2-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium;chloromethane;2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 157248189
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
CID 160676393
1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 169055448

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium?
The IUPAC name of 4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium (CID 161128018) is 4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium?
The canonical SMILES for 4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium is Cc1ccc(-c2cc(-c3ccccc3C)[n+](C)c(-c3cccc[n+]3C)c2)c(C)c1.Cc1ccc(-c2cc(-c3ccccc3C)[n+](C)c(-c3cccc[n+]3C)c2)cc1.Cc1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2cccc[n+]2C)[n+]1C.
What is the InChIKey of 4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium?
The InChIKey is JQLHPTILZAOJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2.C27H28N2.C26H26N2/c1-23-11-7-8-14-28(23)30-21-27(22-31(33(30)3)29-15-9-10-20-32(29)2)26-18-16-25(17-19-26)24-12-5-4-6-13-24;1-19-13-14-23(21(3)16-19)22-17-26(24-11-7-6-10-20(24)2)29(5)27(18-22)25-12-8-9-15-28(25)4;1-19-12-14-21(15-13-19)22-17-25(23-10-6-5-9-20(23)2)28(4)26(18-22)24-11-7-8-16-27(24)3/h4-22H,1-3H3;6-18H,1-5H3;5-18H,1-4H3/q3*+2.
What are the key properties of 4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium?
4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium has a molecular weight of 1175.62 g/mol, XLogP of 16.53, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium is sourced from PubChem (CID 161128018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).