4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine

C33H20FN3O — CID 130262332

IUPAC4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C33H20FN3O/c34-26-13-10-21(11-14-26)29-19-30(23-12-15-32-28(18-23)27-8-1-2-9-31(27)38-32)37-33(36-29)24-6-3-5-22(17-24)25-7-4-16-35-20-25/h1-20H
InChIKeyMDNXVECUXBDOIA-UHFFFAOYSA-N
MW493.54 g/mol
LogP8.58
Rot. Bonds4

About 4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine

4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130262332) has the molecular formula C33H20FN3O and a molecular weight of 493.54 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID130262332
Molecular FormulaC33H20FN3O
Molecular Weight493.54 g/mol
Exact Mass493.16
IUPAC Name4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C33H20FN3O/c34-26-13-10-21(11-14-26)29-19-30(23-12-15-32-28(18-23)27-8-1-2-9-31(27)38-32)37-33(36-29)24-6-3-5-22(17-24)25-7-4-16-35-20-25/h1-20H
InChIKeyMDNXVECUXBDOIA-UHFFFAOYSA-N
XLogP8.58
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.54
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine (CID 130262332) is 4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine is Fc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is MDNXVECUXBDOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20FN3O/c34-26-13-10-21(11-14-26)29-19-30(23-12-15-32-28(18-23)27-8-1-2-9-31(27)38-32)37-33(36-29)24-6-3-5-22(17-24)25-7-4-16-35-20-25/h1-20H.
What are the key properties of 4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine?
4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 493.54 g/mol, XLogP of 8.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130262332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).