1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium

C26H22N+ — CID 153428672

IUPAC1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium
SMILESCc1ccc(-c2ccc3c4c(cccc24)C=CC3)cc1-c1cccc[n+]1C
InChIInChI=1S/C26H22N/c1-18-12-13-21(17-24(18)25-11-3-4-16-27(25)2)22-15-14-20-8-5-7-19-9-6-10-23(22)26(19)20/h3-7,9-17H,8H2,1-2H3/q+1
InChIKeyWMLKKRBKSKMGHD-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.88
Rot. Bonds2

About 1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium

1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium (PubChem CID 153428672) has the molecular formula C26H22N+ and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium
PubChem CID153428672
Molecular FormulaC26H22N+
Molecular Weight348.47 g/mol
Exact Mass348.17
IUPAC Name1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium
SMILESCc1ccc(-c2ccc3c4c(cccc24)C=CC3)cc1-c1cccc[n+]1C
InChIInChI=1S/C26H22N/c1-18-12-13-21(17-24(18)25-11-3-4-16-27(25)2)22-15-14-20-8-5-7-19-9-6-10-23(22)26(19)20/h3-7,9-17H,8H2,1-2H3/q+1
InChIKeyWMLKKRBKSKMGHD-UHFFFAOYSA-N
XLogP5.88
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-[2-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyridin-1-ium
CID 166502950
2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium
CID 171746810
6-(6H-phenalen-1-yl)-1H-phenalene
CID 132501427
3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene
CID 123734144
2-(5-butyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365680
1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium
CID 159416367
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494
1-methyl-2-(2-methyl-[1]benzofuro[2,3-b][1]benzofuran-3-yl)pyridin-1-ium
CID 140827979
2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium
CID 158693695
6-[3-methyl-2-(1-methylpyridin-1-ium-2-yl)phenyl]-9H-indeno[2,1-b]pyridine
CID 160701759
9-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole
CID 58435130
1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium?
The IUPAC name of 1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium (CID 153428672) is 1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium?
The canonical SMILES for 1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium is Cc1ccc(-c2ccc3c4c(cccc24)C=CC3)cc1-c1cccc[n+]1C.
What is the InChIKey of 1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium?
The InChIKey is WMLKKRBKSKMGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N/c1-18-12-13-21(17-24(18)25-11-3-4-16-27(25)2)22-15-14-20-8-5-7-19-9-6-10-23(22)26(19)20/h3-7,9-17H,8H2,1-2H3/q+1.
What are the key properties of 1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium?
1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium has a molecular weight of 348.47 g/mol, XLogP of 5.88, 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-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium is sourced from PubChem (CID 153428672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).