1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium

C24H20NO+ — CID 157313577

IUPAC1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium
SMILESCc1cc[n+](C)c(-c2cc3c(cc2C)oc2c4ccccc4ccc32)c1
InChIInChI=1S/C24H20NO/c1-15-10-11-25(3)22(12-15)20-14-21-19-9-8-17-6-4-5-7-18(17)24(19)26-23(21)13-16(20)2/h4-14H,1-3H3/q+1
InChIKeyULOWDHRJZWXVJQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.85
Rot. Bonds1

About 1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium

1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium (PubChem CID 157313577) has the molecular formula C24H20NO+ and a molecular weight of 338.43 g/mol. Its IUPAC name is 1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium
PubChem CID157313577
Molecular FormulaC24H20NO+
Molecular Weight338.43 g/mol
Exact Mass338.15
IUPAC Name1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium
SMILESCc1cc[n+](C)c(-c2cc3c(cc2C)oc2c4ccccc4ccc32)c1
InChIInChI=1S/C24H20NO/c1-15-10-11-25(3)22(12-15)20-14-21-19-9-8-17-6-4-5-7-18(17)24(19)26-23(21)13-16(20)2/h4-14H,1-3H3/q+1
InChIKeyULOWDHRJZWXVJQ-UHFFFAOYSA-N
XLogP5.85
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)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

1,4-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium
CID 159036743
7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methyldibenzofuran-4-carbonitrile
CID 170251195
1,4-dimethyl-2-(7-methyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)pyridin-1-ium
CID 159882265
4-[cyclohexyl(dideuterio)methyl]-1-methyl-2-(8-methylnaphtho[1,2-b][1]benzofuran-9-yl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium;1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium
CID 157313576
1,4-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)-5-(trideuteriomethyl)pyridin-1-ium;1,4-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyridin-1-ium;1,4-dimethyl-2-(10-methylnaphtho[2,1-b][1]benzofuran-9-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 159852112
14-methyl-13-(2-methylphenyl)-17-oxa-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 140871315
2-(7-fluoro-3,6-dimethyldibenzofuran-2-yl)-1-methylpyridin-1-ium
CID 160680313
4-(1-deuteriocyclohexyl)-1-methyl-2-(8-methylnaphtho[1,2-b][1]benzofuran-9-yl)pyridin-1-ium;4-(1-deuteriocyclopentyl)-1-methyl-2-(8-methylnaphtho[1,2-b][1]benzofuran-9-yl)pyridin-1-ium;4-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-(8-methylnaphtho[1,2-b][1]benzofuran-9-yl)pyridin-1-ium
CID 159848411
4-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 170250705
9-methylphenanthro[1,2-b][1]benzofuran
CID 158951107
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-4-(4-methylphenyl)pyridin-1-ium
CID 157188990
1,4-dimethyl-2-(3,11,11,12,12-pentamethylchrysen-2-yl)pyridin-1-ium
CID 140940633

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium?
The IUPAC name of 1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium (CID 157313577) is 1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium.
What is the SMILES notation for 1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium?
The canonical SMILES for 1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium is Cc1cc[n+](C)c(-c2cc3c(cc2C)oc2c4ccccc4ccc32)c1.
What is the InChIKey of 1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium?
The InChIKey is ULOWDHRJZWXVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20NO/c1-15-10-11-25(3)22(12-15)20-14-21-19-9-8-17-6-4-5-7-18(17)24(19)26-23(21)13-16(20)2/h4-14H,1-3H3/q+1.
What are the key properties of 1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium?
1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium has a molecular weight of 338.43 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-8-yl)pyridin-1-ium is sourced from PubChem (CID 157313577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).