5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium

C90H98N4+4 — CID 162242211

IUPAC5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium
SMILESCCc1ccc(-c2ccc(-c3ccccc3C)[n+](C)c2)cc1.Cc1ccccc1-c1ccc(-c2ccc(C(C)C)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(C3CCCC3)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(CC(C)C)cc2)c[n+]1C
InChIInChI=1S/C24H26N.C23H26N.C22H24N.C21H22N/c1-18-7-3-6-10-23(18)24-16-15-22(17-25(24)2)21-13-11-20(12-14-21)19-8-4-5-9-19;1-17(2)15-19-9-11-20(12-10-19)21-13-14-23(24(4)16-21)22-8-6-5-7-18(22)3;1-16(2)18-9-11-19(12-10-18)20-13-14-22(23(4)15-20)21-8-6-5-7-17(21)3;1-4-17-9-11-18(12-10-17)19-13-14-21(22(3)15-19)20-8-6-5-7-16(20)2/h3,6-7,10-17,19H,4-5,8-9H2,1-2H3;5-14,16-17H,15H2,1-4H3;5-16H,1-4H3;5-15H,4H2,1-3H3/q4*+1
InChIKeyYOHPNJJTLZDUSY-UHFFFAOYSA-N
MW1235.80 g/mol
LogP21.16
Rot. Bonds13

About 5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium

5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium (PubChem CID 162242211) has the molecular formula C90H98N4+4 and a molecular weight of 1235.80 g/mol. Its IUPAC name is 5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium
PubChem CID162242211
Molecular FormulaC90H98N4+4
Molecular Weight1235.80 g/mol
Exact Mass1234.78
IUPAC Name5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium
SMILESCCc1ccc(-c2ccc(-c3ccccc3C)[n+](C)c2)cc1.Cc1ccccc1-c1ccc(-c2ccc(C(C)C)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(C3CCCC3)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(CC(C)C)cc2)c[n+]1C
InChIInChI=1S/C24H26N.C23H26N.C22H24N.C21H22N/c1-18-7-3-6-10-23(18)24-16-15-22(17-25(24)2)21-13-11-20(12-14-21)19-8-4-5-9-19;1-17(2)15-19-9-11-20(12-10-19)21-13-14-23(24(4)16-21)22-8-6-5-7-18(22)3;1-16(2)18-9-11-19(12-10-18)20-13-14-22(23(4)15-20)21-8-6-5-7-17(21)3;1-4-17-9-11-18(12-10-17)19-13-14-21(22(3)15-19)20-8-6-5-7-16(20)2/h3,6-7,10-17,19H,4-5,8-9H2,1-2H3;5-14,16-17H,15H2,1-4H3;5-16H,1-4H3;5-15H,4H2,1-3H3/q4*+1
InChIKeyYOHPNJJTLZDUSY-UHFFFAOYSA-N
XLogP21.16
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.80
LogP ≤ 521.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium?
The IUPAC name of 5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium (CID 162242211) is 5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium.
What is the SMILES notation for 5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium?
The canonical SMILES for 5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium is CCc1ccc(-c2ccc(-c3ccccc3C)[n+](C)c2)cc1.Cc1ccccc1-c1ccc(-c2ccc(C(C)C)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(C3CCCC3)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(CC(C)C)cc2)c[n+]1C.
What is the InChIKey of 5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium?
The InChIKey is YOHPNJJTLZDUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N.C23H26N.C22H24N.C21H22N/c1-18-7-3-6-10-23(18)24-16-15-22(17-25(24)2)21-13-11-20(12-14-21)19-8-4-5-9-19;1-17(2)15-19-9-11-20(12-10-19)21-13-14-23(24(4)16-21)22-8-6-5-7-18(22)3;1-16(2)18-9-11-19(12-10-18)20-13-14-22(23(4)15-20)21-8-6-5-7-17(21)3;1-4-17-9-11-18(12-10-17)19-13-14-21(22(3)15-19)20-8-6-5-7-16(20)2/h3,6-7,10-17,19H,4-5,8-9H2,1-2H3;5-14,16-17H,15H2,1-4H3;5-16H,1-4H3;5-15H,4H2,1-3H3/q4*+1.
What are the key properties of 5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium?
5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium has a molecular weight of 1235.80 g/mol, XLogP of 21.16, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium is sourced from PubChem (CID 162242211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).