1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine

C21H21NO — CID 144815866

IUPAC1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine
SMILESCC1=CC(c2c(C)ccc3c2oc2ccccc23)N(C)C=C1C
InChIInChI=1S/C21H21NO/c1-13-9-10-17-16-7-5-6-8-19(16)23-21(17)20(13)18-11-14(2)15(3)12-22(18)4/h5-12,18H,1-4H3
InChIKeyQLNDAHAWSBBFSC-UHFFFAOYSA-N
MW303.40 g/mol
LogP5.73
Rot. Bonds1

About 1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine

1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine (PubChem CID 144815866) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is 1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine.

Molecular Properties

Compound Name1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine
PubChem CID144815866
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC Name1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine
SMILESCC1=CC(c2c(C)ccc3c2oc2ccccc23)N(C)C=C1C
InChIInChI=1S/C21H21NO/c1-13-9-10-17-16-7-5-6-8-19(16)23-21(17)20(13)18-11-14(2)15(3)12-22(18)4/h5-12,18H,1-4H3
InChIKeyQLNDAHAWSBBFSC-UHFFFAOYSA-N
XLogP5.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-4-yl-1,5-dimethyl-2H-pyridine
CID 144831133
2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane
CID 162295355
(2R,6R)-2,3-dimethyl-7-(3-methyldibenzofuran-4-yl)-3,7-diazabicyclo[4.1.0]hept-4-ene
CID 167206557
1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole
CID 167073720
10-methyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295357
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295351
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037
(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide
CID 170140733
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine?
The IUPAC name of 1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine (CID 144815866) is 1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine.
What is the SMILES notation for 1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine?
The canonical SMILES for 1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine is CC1=CC(c2c(C)ccc3c2oc2ccccc23)N(C)C=C1C.
What is the InChIKey of 1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine?
The InChIKey is QLNDAHAWSBBFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-13-9-10-17-16-7-5-6-8-19(16)23-21(17)20(13)18-11-14(2)15(3)12-22(18)4/h5-12,18H,1-4H3.
What are the key properties of 1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine?
1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine has a molecular weight of 303.40 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine is sourced from PubChem (CID 144815866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).