2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium

C103H112N11+5 — CID 158836320

IUPAC2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium
SMILESCC.CC.Cc1ccccc1-c1cc(-c2ccccc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccccn2)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cc(-c3ccccc3)cc2C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)cc[n+]1C.Cc1nc(C)nc(-c2cc[n+](C)c(-c3ccccc3C)c2)n1
InChIInChI=1S/C25H25N2.C19H21N2.C19H18N.C18H19N4.C18H17N2.2C2H6/c1-18-10-8-9-13-23(18)25-26(4)14-15-27(25)24-19(2)16-22(17-20(24)3)21-11-6-5-7-12-21;1-14-8-5-6-11-17(14)19-20(4)12-13-21(19)18-15(2)9-7-10-16(18)3;1-15-8-6-7-11-18(15)19-14-17(12-13-20(19)2)16-9-4-3-5-10-16;1-12-7-5-6-8-16(12)17-11-15(9-10-22(17)4)18-20-13(2)19-14(3)21-18;1-14-7-3-4-8-16(14)18-13-15(10-12-20(18)2)17-9-5-6-11-19-17;2*1-2/h5-17H,1-4H3;5-13H,1-4H3;3-14H,1-2H3;5-11H,1-4H3;3-13H,1-2H3;2*1-2H3/q5*+1;;
InChIKeyIDPQNYNIUGEPSK-UHFFFAOYSA-N
MW1504.11 g/mol
LogP22.16
Rot. Bonds11

About 2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium

2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium (PubChem CID 158836320) has the molecular formula C103H112N11+5 and a molecular weight of 1504.11 g/mol. Its IUPAC name is 2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium.

Molecular Properties

Compound Name2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium
PubChem CID158836320
Molecular FormulaC103H112N11+5
Molecular Weight1504.11 g/mol
Exact Mass1502.91
IUPAC Name2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium
SMILESCC.CC.Cc1ccccc1-c1cc(-c2ccccc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccccn2)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cc(-c3ccccc3)cc2C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)cc[n+]1C.Cc1nc(C)nc(-c2cc[n+](C)c(-c3ccccc3C)c2)n1
InChIInChI=1S/C25H25N2.C19H21N2.C19H18N.C18H19N4.C18H17N2.2C2H6/c1-18-10-8-9-13-23(18)25-26(4)14-15-27(25)24-19(2)16-22(17-20(24)3)21-11-6-5-7-12-21;1-14-8-5-6-11-17(14)19-20(4)12-13-21(19)18-15(2)9-7-10-16(18)3;1-15-8-6-7-11-18(15)19-14-17(12-13-20(19)2)16-9-4-3-5-10-16;1-12-7-5-6-8-16(12)17-11-15(9-10-22(17)4)18-20-13(2)19-14(3)21-18;1-14-7-3-4-8-16(14)18-13-15(10-12-20(18)2)17-9-5-6-11-19-17;2*1-2/h5-17H,1-4H3;5-13H,1-4H3;3-14H,1-2H3;5-11H,1-4H3;3-13H,1-2H3;2*1-2H3/q5*+1;;
InChIKeyIDPQNYNIUGEPSK-UHFFFAOYSA-N
XLogP22.16
TPSA80.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001504.11
LogP ≤ 522.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium with MolForge

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Related Compounds

2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 157120520
1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 123883372
1-methyl-2-(2-methylphenyl)-4-[6-(2-methylpropyl)-2-pyridinyl]pyridin-1-ium
CID 123166684
2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
CID 146568414
2-methyl-4-(3-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-methyl-4-(4-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-methyl-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 160549129
4-(1,8-dideuterio-11-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140861393
4-[3,5-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123488433
4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;pent-2-ene;2-phenylpyridine
CID 155691096
1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 163611350
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
1,4-dimethyl-2-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-5-phenylpyridin-1-ium;1-methyl-2-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-5-phenylpyridin-1-ium;1-methyl-2-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-5-pyridin-2-ylpyridin-1-ium
CID 160911078

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium?
The IUPAC name of 2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium (CID 158836320) is 2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium.
What is the SMILES notation for 2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium?
The canonical SMILES for 2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium is CC.CC.Cc1ccccc1-c1cc(-c2ccccc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccccn2)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cc(-c3ccccc3)cc2C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)cc[n+]1C.Cc1nc(C)nc(-c2cc[n+](C)c(-c3ccccc3C)c2)n1.
What is the InChIKey of 2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium?
The InChIKey is IDPQNYNIUGEPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N2.C19H21N2.C19H18N.C18H19N4.C18H17N2.2C2H6/c1-18-10-8-9-13-23(18)25-26(4)14-15-27(25)24-19(2)16-22(17-20(24)3)21-11-6-5-7-12-21;1-14-8-5-6-11-17(14)19-20(4)12-13-21(19)18-15(2)9-7-10-16(18)3;1-15-8-6-7-11-18(15)19-14-17(12-13-20(19)2)16-9-4-3-5-10-16;1-12-7-5-6-8-16(12)17-11-15(9-10-22(17)4)18-20-13(2)19-14(3)21-18;1-14-7-3-4-8-16(14)18-13-15(10-12-20(18)2)17-9-5-6-11-19-17;2*1-2/h5-17H,1-4H3;5-13H,1-4H3;3-14H,1-2H3;5-11H,1-4H3;3-13H,1-2H3;2*1-2H3/q5*+1;;.
What are the key properties of 2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium?
2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium has a molecular weight of 1504.11 g/mol, XLogP of 22.16, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-4-yl]-1,3,5-triazine;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;ethane;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-pyridin-2-ylpyridin-1-ium is sourced from PubChem (CID 158836320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).