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

C95H96N14+12 — CID 160911078

IUPAC1,4-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
SMILESC[n+]1ccccc1-c1cccc(-c2cc(-c3ccccn3)cc[n+]2C)[n+]1C.C[n+]1ccccc1-c1cccc(-c2ccc(-c3ccccc3)c[n+]2C)[n+]1C.C[n+]1ccccc1-c1cccc(-c2ccc(-c3ccccn3)c[n+]2C)[n+]1C.Cc1cc(-c2cccc(-c3cccc[n+]3C)[n+]2C)[n+](C)cc1-c1ccccc1
InChIInChI=1S/C25H26N3.C24H24N3.2C23H23N4/c1-19-17-25(27(3)18-21(19)20-11-6-5-7-12-20)24-15-10-14-23(28(24)4)22-13-8-9-16-26(22)2;1-25-17-8-7-12-21(25)23-13-9-14-24(27(23)3)22-16-15-20(18-26(22)2)19-10-5-4-6-11-19;1-25-16-7-5-10-20(25)22-11-8-12-23(27(22)3)21-14-13-18(17-26(21)2)19-9-4-6-15-24-19;1-25-15-7-5-10-20(25)21-11-8-12-22(27(21)3)23-17-18(13-16-26(23)2)19-9-4-6-14-24-19/h5-18H,1-4H3;4-18H,1-3H3;2*4-17H,1-3H3/q4*+3
InChIKeyLUZOYTFNUHMJFB-UHFFFAOYSA-N
MW1433.91 g/mol
LogP11.74
Rot. Bonds12

About 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

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 (PubChem CID 160911078) has the molecular formula C95H96N14+12 and a molecular weight of 1433.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,4-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
PubChem CID160911078
Molecular FormulaC95H96N14+12
Molecular Weight1433.91 g/mol
Exact Mass1432.79
IUPAC Name1,4-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
SMILESC[n+]1ccccc1-c1cccc(-c2cc(-c3ccccn3)cc[n+]2C)[n+]1C.C[n+]1ccccc1-c1cccc(-c2ccc(-c3ccccc3)c[n+]2C)[n+]1C.C[n+]1ccccc1-c1cccc(-c2ccc(-c3ccccn3)c[n+]2C)[n+]1C.Cc1cc(-c2cccc(-c3cccc[n+]3C)[n+]2C)[n+](C)cc1-c1ccccc1
InChIInChI=1S/C25H26N3.C24H24N3.2C23H23N4/c1-19-17-25(27(3)18-21(19)20-11-6-5-7-12-20)24-15-10-14-23(28(24)4)22-13-8-9-16-26(22)2;1-25-17-8-7-12-21(25)23-13-9-14-24(27(23)3)22-16-15-20(18-26(22)2)19-10-5-4-6-11-19;1-25-16-7-5-10-20(25)22-11-8-12-23(27(22)3)21-14-13-18(17-26(21)2)19-9-4-6-15-24-19;1-25-15-7-5-10-20(25)21-11-8-12-22(27(21)3)23-17-18(13-16-26(23)2)19-9-4-6-14-24-19/h5-18H,1-4H3;4-18H,1-3H3;2*4-17H,1-3H3/q4*+3
InChIKeyLUZOYTFNUHMJFB-UHFFFAOYSA-N
XLogP11.74
TPSA72.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001433.91
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1,4-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-5-phenylpyridin-1-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-5-phenylpyridin-1-ium;1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]quinolin-1-ium
CID 160985208
1-methyl-2-(3-methyl-5-pyridin-2-ylphenyl)pyridin-1-ium
CID 145489374
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
2,4-dimethyl-3-[1-methyl-4-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2,4-dimethyl-3-[1-methyl-5-(2-methylphenyl)pyridin-1-ium-2-yl]pyridine;2-(2,4-dimethyl-3-pyridinyl)-1,5-dimethyl-4-phenylpyridin-1-ium
CID 158962711
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
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
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
bis(1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium);1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 160532980
ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine
CID 162723127

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[n+]1ccccc1-c1cccc(-c2cc(-c3ccccn3)cc[n+]2C)[n+]1C.C[n+]1ccccc1-c1cccc(-c2ccc(-c3ccccc3)c[n+]2C)[n+]1C.C[n+]1ccccc1-c1cccc(-c2ccc(-c3ccccn3)c[n+]2C)[n+]1C.Cc1cc(-c2cccc(-c3cccc[n+]3C)[n+]2C)[n+](C)cc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is LUZOYTFNUHMJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N3.C24H24N3.2C23H23N4/c1-19-17-25(27(3)18-21(19)20-11-6-5-7-12-20)24-15-10-14-23(28(24)4)22-13-8-9-16-26(22)2;1-25-17-8-7-12-21(25)23-13-9-14-24(27(23)3)22-16-15-20(18-26(22)2)19-10-5-4-6-11-19;1-25-16-7-5-10-20(25)22-11-8-12-23(27(22)3)21-14-13-18(17-26(21)2)19-9-4-6-15-24-19;1-25-15-7-5-10-20(25)21-11-8-12-22(27(21)3)23-17-18(13-16-26(23)2)19-9-4-6-14-24-19/h5-18H,1-4H3;4-18H,1-3H3;2*4-17H,1-3H3/q4*+3.
What are the key properties of 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?
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 has a molecular weight of 1433.91 g/mol, XLogP of 11.74, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160911078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).