1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium

C25H20N+ — CID 159416367

IUPAC1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium
SMILESCc1c(-c2cccc[n+]2C)ccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C25H20N/c1-17-18(24-13-7-8-16-26(24)2)14-15-23-21-11-4-3-9-19(21)20-10-5-6-12-22(20)25(17)23/h3-16H,1-2H3/q+1
InChIKeyFLXXBGQLFZYWGF-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.95
Rot. Bonds1

About 1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium

1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium (PubChem CID 159416367) has the molecular formula C25H20N+ and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium
PubChem CID159416367
Molecular FormulaC25H20N+
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC Name1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium
SMILESCc1c(-c2cccc[n+]2C)ccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C25H20N/c1-17-18(24-13-7-8-16-26(24)2)14-15-23-21-11-4-3-9-19(21)20-10-5-6-12-22(20)25(17)23/h3-16H,1-2H3/q+1
InChIKeyFLXXBGQLFZYWGF-UHFFFAOYSA-N
XLogP5.95
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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9-methyl-10-(1-methylpyridin-1-ium-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
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1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
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9-methyl-8-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
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2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium
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2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium
CID 171746810
ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium
CID 159518590
1-methyl-2-[1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1-(1-methylpyridin-1-ium-2-yl)ethyl]pyridin-1-ium
CID 153276035

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium (CID 159416367) is 1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium is Cc1c(-c2cccc[n+]2C)ccc2c3ccccc3c3ccccc3c12.
What is the InChIKey of 1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium?
The InChIKey is FLXXBGQLFZYWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N/c1-17-18(24-13-7-8-16-26(24)2)14-15-23-21-11-4-3-9-19(21)20-10-5-6-12-22(20)25(17)23/h3-16H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium?
1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium has a molecular weight of 334.44 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium is sourced from PubChem (CID 159416367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).