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

C97H94N8+8 — CID 160985208

IUPAC1,4-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
SMILESCc1cc(-c2cccc(-c3ccccc3C)[n+]2C)[n+](C)cc1-c1ccccc1.Cc1ccccc1-c1cccc(-c2cc3ccccc3c[n+]2C)[n+]1C.Cc1ccccc1-c1cccc(-c2ccc(-c3ccccc3)c[n+]2C)[n+]1C.Cc1ccccc1-c1cccc(-c2ccc3ccccc3[n+]2C)[n+]1C
InChIInChI=1S/C26H26N2.C25H24N2.2C23H22N2/c1-19-11-8-9-14-22(19)24-15-10-16-25(28(24)4)26-17-20(2)23(18-27(26)3)21-12-6-5-7-13-21;1-19-10-7-8-13-22(19)23-14-9-15-25(27(23)3)24-17-16-21(18-26(24)2)20-11-5-4-6-12-20;1-17-9-4-7-12-20(17)21-13-8-14-22(25(21)3)23-15-18-10-5-6-11-19(18)16-24(23)2;1-17-9-4-6-11-19(17)21-13-8-14-22(25(21)3)23-16-15-18-10-5-7-12-20(18)24(23)2/h5-18H,1-4H3;4-18H,1-3H3;2*4-16H,1-3H3/q4*+2
InChIKeyJHSCOAHEUKNLCM-UHFFFAOYSA-N
MW1371.87 g/mol
LogP17.86
Rot. Bonds10

About 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

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 (PubChem CID 160985208) has the molecular formula C97H94N8+8 and a molecular weight of 1371.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,4-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
PubChem CID160985208
Molecular FormulaC97H94N8+8
Molecular Weight1371.87 g/mol
Exact Mass1370.76
IUPAC Name1,4-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
SMILESCc1cc(-c2cccc(-c3ccccc3C)[n+]2C)[n+](C)cc1-c1ccccc1.Cc1ccccc1-c1cccc(-c2cc3ccccc3c[n+]2C)[n+]1C.Cc1ccccc1-c1cccc(-c2ccc(-c3ccccc3)c[n+]2C)[n+]1C.Cc1ccccc1-c1cccc(-c2ccc3ccccc3[n+]2C)[n+]1C
InChIInChI=1S/C26H26N2.C25H24N2.2C23H22N2/c1-19-11-8-9-14-22(19)24-15-10-16-25(28(24)4)26-17-20(2)23(18-27(26)3)21-12-6-5-7-13-21;1-19-10-7-8-13-22(19)23-14-9-15-25(27(23)3)24-17-16-21(18-26(24)2)20-11-5-4-6-12-20;1-17-9-4-7-12-20(17)21-13-8-14-22(25(21)3)23-15-18-10-5-6-11-19(18)16-24(23)2;1-17-9-4-6-11-19(17)21-13-8-14-22(25(21)3)23-16-15-18-10-5-7-12-20(18)24(23)2/h5-18H,1-4H3;4-18H,1-3H3;2*4-16H,1-3H3/q4*+2
InChIKeyJHSCOAHEUKNLCM-UHFFFAOYSA-N
XLogP17.86
TPSA31.04 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001371.87
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-(4-heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2(36),3,5,7,9,11(35),12,14,16(34),17,19,21(33),22(32),23,25,27(31),28-octadecaenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 171043690
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
1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271
2-(2,4-dimethylphenyl)-1-methylquinolin-1-ium;3-[2,5-dimethyl-3-(trideuteriomethyl)phenyl]-2-methylisoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;2-methyl-3-[2-methyl-4-(trideuteriomethyl)phenyl]isoquinolin-2-ium
CID 160532784
2-[3-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-2-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium;2-[3-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2-methylphenyl]-1-methylquinolin-1-ium;3-[3-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2-methylphenyl]-2-methylisoquinolin-2-ium;2-[3-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2-methylphenyl]-1-methylquinolin-1-ium
CID 158147973
1-methyl-2-(3-methylanthracen-2-yl)quinolin-1-ium
CID 59372149
1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium
CID 157295818
1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 157460645
2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 158165222
1-methyl-2-[4-(4-methylphenyl)-2,6-diphenylphenyl]quinolin-1-ium perchlorate
CID 10347827
2-(4-tert-butyl-2-methylphenyl)-1,4-dimethyl-5-phenylpyridin-1-ium
CID 167357881
5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829940

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cccc(-c3ccccc3C)[n+]2C)[n+](C)cc1-c1ccccc1.Cc1ccccc1-c1cccc(-c2cc3ccccc3c[n+]2C)[n+]1C.Cc1ccccc1-c1cccc(-c2ccc(-c3ccccc3)c[n+]2C)[n+]1C.Cc1ccccc1-c1cccc(-c2ccc3ccccc3[n+]2C)[n+]1C.
What is the InChIKey of 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?
The InChIKey is JHSCOAHEUKNLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2.C25H24N2.2C23H22N2/c1-19-11-8-9-14-22(19)24-15-10-16-25(28(24)4)26-17-20(2)23(18-27(26)3)21-12-6-5-7-13-21;1-19-10-7-8-13-22(19)23-14-9-15-25(27(23)3)24-17-16-21(18-26(24)2)20-11-5-4-6-12-20;1-17-9-4-7-12-20(17)21-13-8-14-22(25(21)3)23-15-18-10-5-6-11-19(18)16-24(23)2;1-17-9-4-6-11-19(17)21-13-8-14-22(25(21)3)23-16-15-18-10-5-7-12-20(18)24(23)2/h5-18H,1-4H3;4-18H,1-3H3;2*4-16H,1-3H3/q4*+2.
What are the key properties of 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?
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 has a molecular weight of 1371.87 g/mol, XLogP of 17.86, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160985208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).