1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium

C23H20N+ — CID 172528370

IUPAC1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium
SMILESCc1ccc2ccccc2c1-c1c(-c2ccccc2)ccc[n+]1C
InChIInChI=1S/C23H20N/c1-17-14-15-19-11-6-7-12-20(19)22(17)23-21(13-8-16-24(23)2)18-9-4-3-5-10-18/h3-16H,1-2H3/q+1
InChIKeyHBZITUBPQICEMV-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.31
Rot. Bonds2

About 1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium

1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium (PubChem CID 172528370) has the molecular formula C23H20N+ and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium
PubChem CID172528370
Molecular FormulaC23H20N+
Molecular Weight310.42 g/mol
Exact Mass310.16
IUPAC Name1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium
SMILESCc1ccc2ccccc2c1-c1c(-c2ccccc2)ccc[n+]1C
InChIInChI=1S/C23H20N/c1-17-14-15-19-11-6-7-12-20(19)22(17)23-21(13-8-16-24(23)2)18-9-4-3-5-10-18/h3-16H,1-2H3/q+1
InChIKeyHBZITUBPQICEMV-UHFFFAOYSA-N
XLogP5.31
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.31
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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Related Compounds

2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
2-(2-methylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166656403
3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium
CID 176812281
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
CID 145390572
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
1,2-diphenylnaphthalene
CID 11208267
1-methyl-5-(4-phenylphenyl)quinolin-1-ium
CID 56595767
2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium
CID 153369780

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium?
The IUPAC name of 1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium (CID 172528370) is 1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium?
The canonical SMILES for 1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium is Cc1ccc2ccccc2c1-c1c(-c2ccccc2)ccc[n+]1C.
What is the InChIKey of 1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium?
The InChIKey is HBZITUBPQICEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N/c1-17-14-15-19-11-6-7-12-20(19)22(17)23-21(13-8-16-24(23)2)18-9-4-3-5-10-18/h3-16H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium?
1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium has a molecular weight of 310.42 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium is sourced from PubChem (CID 172528370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).