10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C24H21NO — CID 162296037

IUPAC10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCc1ccc2c(oc3ccccc32)c1N1C2CC(c3ccccc32)C1C
InChIInChI=1S/C24H21NO/c1-14-11-12-19-18-9-5-6-10-22(18)26-24(19)23(14)25-15(2)20-13-21(25)17-8-4-3-7-16(17)20/h3-12,15,20-21H,13H2,1-2H3
InChIKeyCOVILFCTJSJCBT-UHFFFAOYSA-N
MW339.44 g/mol
LogP6.33
Rot. Bonds1

About 10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 162296037) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID162296037
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCc1ccc2c(oc3ccccc32)c1N1C2CC(c3ccccc32)C1C
InChIInChI=1S/C24H21NO/c1-14-11-12-19-18-9-5-6-10-22(18)26-24(19)23(14)25-15(2)20-13-21(25)17-8-4-3-7-16(17)20/h3-12,15,20-21H,13H2,1-2H3
InChIKeyCOVILFCTJSJCBT-UHFFFAOYSA-N
XLogP6.33
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
(2R,6R)-2,3-dimethyl-7-(3-methyldibenzofuran-4-yl)-3,7-diazabicyclo[4.1.0]hept-4-ene
CID 167206557
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide
CID 170140733
10-methyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295357
CID 167400605
CID 167400605
1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296040
5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 146363443
1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole
CID 138486784

Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 162296037) is 10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is Cc1ccc2c(oc3ccccc32)c1N1C2CC(c3ccccc32)C1C.
What is the InChIKey of 10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is COVILFCTJSJCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-14-11-12-19-18-9-5-6-10-22(18)26-24(19)23(14)25-15(2)20-13-21(25)17-8-4-3-7-16(17)20/h3-12,15,20-21H,13H2,1-2H3.
What are the key properties of 10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 339.44 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 162296037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).