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

C39H24FN3O — CID 130263451

IUPAC4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccccc3-c3cccnc3)n2)cc1
InChIInChI=1S/C39H24FN3O/c40-30-18-15-27(16-19-30)36-23-35(42-39(43-36)33-9-2-1-7-31(33)29-6-5-21-41-24-29)26-13-11-25(12-14-26)28-17-20-38-34(22-28)32-8-3-4-10-37(32)44-38/h1-24H
InChIKeyDSUXRFAPAWYSAC-UHFFFAOYSA-N
MW569.64 g/mol
LogP10.25
Rot. Bonds5

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

4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130263451) has the molecular formula C39H24FN3O and a molecular weight of 569.64 g/mol. Its IUPAC name is 4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
PubChem CID130263451
Molecular FormulaC39H24FN3O
Molecular Weight569.64 g/mol
Exact Mass569.19
IUPAC Name4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccccc3-c3cccnc3)n2)cc1
InChIInChI=1S/C39H24FN3O/c40-30-18-15-27(16-19-30)36-23-35(42-39(43-36)33-9-2-1-7-31(33)29-6-5-21-41-24-29)26-13-11-25(12-14-26)28-17-20-38-34(22-28)32-8-3-4-10-37(32)44-38/h1-24H
InChIKeyDSUXRFAPAWYSAC-UHFFFAOYSA-N
XLogP10.25
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.64
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Dibenzofuran-4-ylmethyl-piperazin-1-yl)-pyrimidine
CID 44304600
(4-Phenylmethoxyphenyl)-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 168280538
US11780845, Example 1242
CID 155309412
US11780845, Example 1311
CID 155310119
3-[3-(1-Benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 71699623
N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 171348837
N-[1-[3-(2-aminopyrimidin-5-yl)-4-methylphenyl]ethyl]-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
CID 70977073
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrimidin-4-amine
CID 70977107
1-[5-[3-[(1S)-1-[[2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-pyridinyl]ethanone
CID 70977109
N-[(1S)-1-[3-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]phenyl]ethyl]-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
CID 70977124
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[3-(6-methyl-3-pyridinyl)phenyl]ethyl]pyrimidin-4-amine
CID 70977240
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]ethyl]pyrimidin-4-amine
CID 70978387

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine (CID 130263451) is 4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine is Fc1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccccc3-c3cccnc3)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is DSUXRFAPAWYSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24FN3O/c40-30-18-15-27(16-19-30)36-23-35(42-39(43-36)33-9-2-1-7-31(33)29-6-5-21-41-24-29)26-13-11-25(12-14-26)28-17-20-38-34(22-28)32-8-3-4-10-37(32)44-38/h1-24H.
What are the key properties of 4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 569.64 g/mol, XLogP of 10.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130263451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).