3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline

C32H19FN2O — CID 169293939

IUPAC3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)nc4)cnc3c2)cc1
InChIInChI=1S/C32H19FN2O/c33-26-11-7-20(8-12-26)21-5-6-22-15-25(19-35-30(22)17-21)24-9-13-29(34-18-24)23-10-14-32-28(16-23)27-3-1-2-4-31(27)36-32/h1-19H
InChIKeyZOAGWTSCXRKPMY-UHFFFAOYSA-N
MW466.52 g/mol
LogP8.67
Rot. Bonds3

About 3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline

3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline (PubChem CID 169293939) has the molecular formula C32H19FN2O and a molecular weight of 466.52 g/mol. Its IUPAC name is 3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline.

Molecular Properties

Compound Name3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
PubChem CID169293939
Molecular FormulaC32H19FN2O
Molecular Weight466.52 g/mol
Exact Mass466.15
IUPAC Name3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)nc4)cnc3c2)cc1
InChIInChI=1S/C32H19FN2O/c33-26-11-7-20(8-12-26)21-5-6-22-15-25(19-35-30(22)17-21)24-9-13-29(34-18-24)23-10-14-32-28(16-23)27-3-1-2-4-31(27)36-32/h1-19H
InChIKeyZOAGWTSCXRKPMY-UHFFFAOYSA-N
XLogP8.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline?
The IUPAC name of 3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline (CID 169293939) is 3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline.
What is the SMILES notation for 3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline?
The canonical SMILES for 3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline is Fc1ccc(-c2ccc3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)nc4)cnc3c2)cc1.
What is the InChIKey of 3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline?
The InChIKey is ZOAGWTSCXRKPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19FN2O/c33-26-11-7-20(8-12-26)21-5-6-22-15-25(19-35-30(22)17-21)24-9-13-29(34-18-24)23-10-14-32-28(16-23)27-3-1-2-4-31(27)36-32/h1-19H.
What are the key properties of 3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline?
3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline has a molecular weight of 466.52 g/mol, XLogP of 8.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline is sourced from PubChem (CID 169293939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).