2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium

C23H24NO+ — CID 140813540

IUPAC2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
SMILESCc1cc(C)c2c(oc3ccccc32)c1-c1cc(C(C)C)cc[n+]1C
InChIInChI=1S/C23H24NO/c1-14(2)17-10-11-24(5)19(13-17)22-16(4)12-15(3)21-18-8-6-7-9-20(18)25-23(21)22/h6-14H,1-5H3/q+1
InChIKeyNDWCFSCIACTJPH-UHFFFAOYSA-N
MW330.45 g/mol
LogP5.82
Rot. Bonds2

About 2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium

2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium (PubChem CID 140813540) has the molecular formula C23H24NO+ and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium.

Molecular Properties

Compound Name2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
PubChem CID140813540
Molecular FormulaC23H24NO+
Molecular Weight330.45 g/mol
Exact Mass330.19
IUPAC Name2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
SMILESCc1cc(C)c2c(oc3ccccc32)c1-c1cc(C(C)C)cc[n+]1C
InChIInChI=1S/C23H24NO/c1-14(2)17-10-11-24(5)19(13-17)22-16(4)12-15(3)21-18-8-6-7-9-20(18)25-23(21)22/h6-14H,1-5H3/q+1
InChIKeyNDWCFSCIACTJPH-UHFFFAOYSA-N
XLogP5.82
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-[3-methyl-1-(trideuteriomethyl)dibenzofuran-4-yl]pyridin-1-ium
CID 159292455
2-(7-fluoro-1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 152995746
4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 166512644
2,4-difluoro-5,7-dimethyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 153464526
4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyldibenzofuran-1-carbonitrile
CID 154615269
2,4,7-trimethyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 140708262
1,4-dimethyl-2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyridin-1-ium
CID 158153176
1-methyl-2-[7-methyl-5-(trideuteriomethyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl]pyridin-1-ium
CID 153418131
4-(2-deuteriopropan-2-yl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;bis(1,4-dimethyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium);2,7-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-2-(3-methyldibenzofuran-4-yl)-4-propan-2-ylpyridin-1-ium
CID 157141464
2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridin-1-ium
CID 140827689
2-(1,3-dimethyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium;1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 158855776
2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 153464832

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
The IUPAC name of 2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium (CID 140813540) is 2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium.
What is the SMILES notation for 2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
The canonical SMILES for 2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium is Cc1cc(C)c2c(oc3ccccc32)c1-c1cc(C(C)C)cc[n+]1C.
What is the InChIKey of 2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
The InChIKey is NDWCFSCIACTJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NO/c1-14(2)17-10-11-24(5)19(13-17)22-16(4)12-15(3)21-18-8-6-7-9-20(18)25-23(21)22/h6-14H,1-5H3/q+1.
What are the key properties of 2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium has a molecular weight of 330.45 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 140813540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).