5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C22H17NO — CID 90076974

IUPAC5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESc1ccc2c(c1)oc1ccc(-c3cc4c(cn3)C3CCC4C3)cc12
InChIInChI=1S/C22H17NO/c1-2-4-21-16(3-1)18-10-15(7-8-22(18)24-21)20-11-17-13-5-6-14(9-13)19(17)12-23-20/h1-4,7-8,10-14H,5-6,9H2
InChIKeyFVPDZWPKBLWDTG-UHFFFAOYSA-N
MW311.38 g/mol
LogP6.01
Rot. Bonds1

About 5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 90076974) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID90076974
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESc1ccc2c(c1)oc1ccc(-c3cc4c(cn3)C3CCC4C3)cc12
InChIInChI=1S/C22H17NO/c1-2-4-21-16(3-1)18-10-15(7-8-22(18)24-21)20-11-17-13-5-6-14(9-13)19(17)12-23-20/h1-4,7-8,10-14H,5-6,9H2
InChIKeyFVPDZWPKBLWDTG-UHFFFAOYSA-N
XLogP6.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine
CID 121367236
2,4-di(dibenzofuran-2-yl)pyrimidine
CID 121340967
(6-dibenzofuran-2-yl-3-pyridinyl)-methyl-diphenylsilane
CID 140719613
2-dibenzofuran-2-yl-3,5-dimethylpyrazine
CID 67501726
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531262
5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 118232170
2-dibenzofuran-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293876
2-(4-dibenzofuran-2-ylphenyl)-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 147052468
2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine
CID 134531373
3-(3,5-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 140577687
3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063503

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 90076974) is 5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is c1ccc2c(c1)oc1ccc(-c3cc4c(cn3)C3CCC4C3)cc12.
What is the InChIKey of 5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is FVPDZWPKBLWDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-2-4-21-16(3-1)18-10-15(7-8-22(18)24-21)20-11-17-13-5-6-14(9-13)19(17)12-23-20/h1-4,7-8,10-14H,5-6,9H2.
What are the key properties of 5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 311.38 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 90076974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).