5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium

C30H32N+ — CID 140829940

IUPAC5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1cc(-c2ccccc2C)[n+](C)cc1-c1ccc2cc(C3CCCCC3)ccc2c1
InChIInChI=1S/C30H32N/c1-21-9-7-8-12-28(21)30-17-22(2)29(20-31(30)3)27-16-15-25-18-24(13-14-26(25)19-27)23-10-5-4-6-11-23/h7-9,12-20,23H,4-6,10-11H2,1-3H3/q+1
InChIKeyVPRUYRGKJGWIIV-UHFFFAOYSA-N
MW406.59 g/mol
LogP7.66
Rot. Bonds3

About 5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium

5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 140829940) has the molecular formula C30H32N+ and a molecular weight of 406.59 g/mol. Its IUPAC name is 5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
PubChem CID140829940
Molecular FormulaC30H32N+
Molecular Weight406.59 g/mol
Exact Mass406.25
IUPAC Name5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1cc(-c2ccccc2C)[n+](C)cc1-c1ccc2cc(C3CCCCC3)ccc2c1
InChIInChI=1S/C30H32N/c1-21-9-7-8-12-28(21)30-17-22(2)29(20-31(30)3)27-16-15-25-18-24(13-14-26(25)19-27)23-10-5-4-6-11-23/h7-9,12-20,23H,4-6,10-11H2,1-3H3/q+1
InChIKeyVPRUYRGKJGWIIV-UHFFFAOYSA-N
XLogP7.66
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.59
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium (CID 140829940) is 5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium is Cc1cc(-c2ccccc2C)[n+](C)cc1-c1ccc2cc(C3CCCCC3)ccc2c1.
What is the InChIKey of 5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The InChIKey is VPRUYRGKJGWIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N/c1-21-9-7-8-12-28(21)30-17-22(2)29(20-31(30)3)27-16-15-25-18-24(13-14-26(25)19-27)23-10-5-4-6-11-23/h7-9,12-20,23H,4-6,10-11H2,1-3H3/q+1.
What are the key properties of 5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 406.59 g/mol, XLogP of 7.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 140829940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).