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

C26H25NO — CID 162296040

IUPAC1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCc1ccc2c(oc3ccccc32)c1N1C(C)C2(C)CC1(C)c1ccccc12
InChIInChI=1S/C26H25NO/c1-16-13-14-19-18-9-5-8-12-22(18)28-24(19)23(16)27-17(2)25(3)15-26(27,4)21-11-7-6-10-20(21)25/h5-14,17H,15H2,1-4H3
InChIKeyRKABKTYNMGWAIO-UHFFFAOYSA-N
MW367.49 g/mol
LogP6.68
Rot. Bonds1

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

1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 162296040) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID162296040
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCc1ccc2c(oc3ccccc32)c1N1C(C)C2(C)CC1(C)c1ccccc12
InChIInChI=1S/C26H25NO/c1-16-13-14-19-18-9-5-8-12-22(18)28-24(19)23(16)27-17(2)25(3)15-26(27,4)21-11-7-6-10-20(21)25/h5-14,17H,15H2,1-4H3
InChIKeyRKABKTYNMGWAIO-UHFFFAOYSA-N
XLogP6.68
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3,3-trimethyl-1-(3-methyldibenzofuran-4-yl)-1-azaspiro[4.5]decane
CID 147607330
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 146363443
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
(1S)-4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane
CID 158953609
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295351
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
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
(2R,6R)-2,3-dimethyl-7-(3-methyldibenzofuran-4-yl)-3,7-diazabicyclo[4.1.0]hept-4-ene
CID 167206557

Frequently Asked Questions

What is the IUPAC name of 1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 162296040) is 1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is Cc1ccc2c(oc3ccccc32)c1N1C(C)C2(C)CC1(C)c1ccccc12.
What is the InChIKey of 1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is RKABKTYNMGWAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-16-13-14-19-18-9-5-8-12-22(18)28-24(19)23(16)27-17(2)25(3)15-26(27,4)21-11-7-6-10-20(21)25/h5-14,17H,15H2,1-4H3.
What are the key properties of 1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 367.49 g/mol, XLogP of 6.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 162296040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).