8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C25H23NO — CID 162295351

IUPAC8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCc1ccc2c(oc3ccccc32)c1C1C(C)N2CC1(C)c1ccccc12
InChIInChI=1S/C25H23NO/c1-15-12-13-18-17-8-4-7-11-21(17)27-24(18)22(15)23-16(2)26-14-25(23,3)19-9-5-6-10-20(19)26/h4-13,16,23H,14H2,1-3H3
InChIKeyOKIAYGXWSHZFGL-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.16
Rot. Bonds1

About 8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 162295351) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID162295351
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCc1ccc2c(oc3ccccc32)c1C1C(C)N2CC1(C)c1ccccc12
InChIInChI=1S/C25H23NO/c1-15-12-13-18-17-8-4-7-11-21(17)27-24(18)22(15)23-16(2)26-14-25(23,3)19-9-5-6-10-20(19)26/h4-13,16,23H,14H2,1-3H3
InChIKeyOKIAYGXWSHZFGL-UHFFFAOYSA-N
XLogP6.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-methyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295357
1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole
CID 167073720
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296040
2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane
CID 162295355
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine
CID 144815866
8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 137454823
5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 146363443
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 162295351) is 8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is Cc1ccc2c(oc3ccccc32)c1C1C(C)N2CC1(C)c1ccccc12.
What is the InChIKey of 8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is OKIAYGXWSHZFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-15-12-13-18-17-8-4-7-11-21(17)27-24(18)22(15)23-16(2)26-14-25(23,3)19-9-5-6-10-20(19)26/h4-13,16,23H,14H2,1-3H3.
What are the key properties of 8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 353.47 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 162295351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).