4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium

C119H130N5+5 — CID 163702671

IUPAC4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1cc(C)cc(-c2cc[n+](C)c(-c3ccccc3C)c2)c1.Cc1ccccc1-c1cc(-c2ccc(C3CCCC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(C3CCCCC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccc(C3CCCC3)c2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccc(C3CCCCC3)c2)cc[n+]1C
InChIInChI=1S/2C25H28N.2C24H26N.C21H22N/c1-19-9-6-7-14-24(19)25-18-23(15-16-26(25)2)22-13-8-12-21(17-22)20-10-4-3-5-11-20;1-19-8-6-7-11-24(19)25-18-23(16-17-26(25)2)22-14-12-21(13-15-22)20-9-4-3-5-10-20;1-18-8-3-6-13-23(18)24-17-22(14-15-25(24)2)21-12-7-11-20(16-21)19-9-4-5-10-19;1-18-7-3-6-10-23(18)24-17-22(15-16-25(24)2)21-13-11-20(12-14-21)19-8-4-5-9-19;1-15-11-16(2)13-19(12-15)18-9-10-22(4)21(14-18)20-8-6-5-7-17(20)3/h6-9,12-18,20H,3-5,10-11H2,1-2H3;6-8,11-18,20H,3-5,9-10H2,1-2H3;3,6-8,11-17,19H,4-5,9-10H2,1-2H3;3,6-7,10-17,19H,4-5,8-9H2,1-2H3;5-14H,1-4H3/q5*+1
InChIKeyUUJXDRIRMNBBEJ-UHFFFAOYSA-N
MW1630.38 g/mol
LogP28.80
Rot. Bonds14

About 4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium

4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 163702671) has the molecular formula C119H130N5+5 and a molecular weight of 1630.38 g/mol. Its IUPAC name is 4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
PubChem CID163702671
Molecular FormulaC119H130N5+5
Molecular Weight1630.38 g/mol
Exact Mass1629.03
IUPAC Name4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1cc(C)cc(-c2cc[n+](C)c(-c3ccccc3C)c2)c1.Cc1ccccc1-c1cc(-c2ccc(C3CCCC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(C3CCCCC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccc(C3CCCC3)c2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccc(C3CCCCC3)c2)cc[n+]1C
InChIInChI=1S/2C25H28N.2C24H26N.C21H22N/c1-19-9-6-7-14-24(19)25-18-23(15-16-26(25)2)22-13-8-12-21(17-22)20-10-4-3-5-11-20;1-19-8-6-7-11-24(19)25-18-23(16-17-26(25)2)22-14-12-21(13-15-22)20-9-4-3-5-10-20;1-18-8-3-6-13-23(18)24-17-22(14-15-25(24)2)21-12-7-11-20(16-21)19-9-4-5-10-19;1-18-7-3-6-10-23(18)24-17-22(15-16-25(24)2)21-13-11-20(12-14-21)19-8-4-5-9-19;1-15-11-16(2)13-19(12-15)18-9-10-22(4)21(14-18)20-8-6-5-7-17(20)3/h6-9,12-18,20H,3-5,10-11H2,1-2H3;6-8,11-18,20H,3-5,9-10H2,1-2H3;3,6-8,11-17,19H,4-5,9-10H2,1-2H3;3,6-7,10-17,19H,4-5,8-9H2,1-2H3;5-14H,1-4H3/q5*+1
InChIKeyUUJXDRIRMNBBEJ-UHFFFAOYSA-N
XLogP28.80
TPSA19.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001630.38
LogP ≤ 528.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium with MolForge

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Related Compounds

4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777994
5-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[4-(1-deuteriocyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 159678541
4-[4-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 170089897
5-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[3-(1-deuteriocyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[4-(1-deuteriocyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 160511733
4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium
CID 162265556
4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium
CID 161078328
carbanide;5-cyclopentyl-1,3-dimethyl-2-(4-methylphenyl)benzene;5-cyclopentyl-1,3-dimethyl-2-[4-(4-methylphenyl)phenyl]benzene;4-(4-cyclopentyl-2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;methane;tris(osmium(2+));tris(1,2,3,4,5-pentamethylcyclopentane)
CID 162271641
4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830081
5-cyclohexyl-4-[6-(4-cyclopentylphenyl)naphthalen-2-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829935
4-[4-(4-cyclopentylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(1,1-dideuterioheptyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 159774603
6-cyclohexyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170405417
5-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[3-(1-deuteriocyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 159361372

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium (CID 163702671) is 4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium is Cc1cc(C)cc(-c2cc[n+](C)c(-c3ccccc3C)c2)c1.Cc1ccccc1-c1cc(-c2ccc(C3CCCC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(C3CCCCC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccc(C3CCCC3)c2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccc(C3CCCCC3)c2)cc[n+]1C.
What is the InChIKey of 4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The InChIKey is UUJXDRIRMNBBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H28N.2C24H26N.C21H22N/c1-19-9-6-7-14-24(19)25-18-23(15-16-26(25)2)22-13-8-12-21(17-22)20-10-4-3-5-11-20;1-19-8-6-7-11-24(19)25-18-23(16-17-26(25)2)22-14-12-21(13-15-22)20-9-4-3-5-10-20;1-18-8-3-6-13-23(18)24-17-22(14-15-25(24)2)21-12-7-11-20(16-21)19-9-4-5-10-19;1-18-7-3-6-10-23(18)24-17-22(15-16-25(24)2)21-13-11-20(12-14-21)19-8-4-5-9-19;1-15-11-16(2)13-19(12-15)18-9-10-22(4)21(14-18)20-8-6-5-7-17(20)3/h6-9,12-18,20H,3-5,10-11H2,1-2H3;6-8,11-18,20H,3-5,9-10H2,1-2H3;3,6-8,11-17,19H,4-5,9-10H2,1-2H3;3,6-7,10-17,19H,4-5,8-9H2,1-2H3;5-14H,1-4H3/q5*+1.
What are the key properties of 4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 1630.38 g/mol, XLogP of 28.80, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,5-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 163702671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).