2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine

C51H30FN3O2 — CID 130263321

IUPAC2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C51H30FN3O2/c52-40-19-15-33(16-20-40)46-29-45(32-13-11-31(12-14-32)36-6-5-23-53-30-36)54-51(55-46)39-25-37(34-17-21-49-43(27-34)41-7-1-3-9-47(41)56-49)24-38(26-39)35-18-22-50-44(28-35)42-8-2-4-10-48(42)57-50/h1-30H
InChIKeyZRIRXHMBSHIGQV-UHFFFAOYSA-N
MW735.82 g/mol
LogP13.81
Rot. Bonds6

About 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine

2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130263321) has the molecular formula C51H30FN3O2 and a molecular weight of 735.82 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID130263321
Molecular FormulaC51H30FN3O2
Molecular Weight735.82 g/mol
Exact Mass735.23
IUPAC Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C51H30FN3O2/c52-40-19-15-33(16-20-40)46-29-45(32-13-11-31(12-14-32)36-6-5-23-53-30-36)54-51(55-46)39-25-37(34-17-21-49-43(27-34)41-7-1-3-9-47(41)56-49)24-38(26-39)35-18-22-50-44(28-35)42-8-2-4-10-48(42)57-50/h1-30H
InChIKeyZRIRXHMBSHIGQV-UHFFFAOYSA-N
XLogP13.81
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.82
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 130263321) is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine is Fc1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is ZRIRXHMBSHIGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN3O2/c52-40-19-15-33(16-20-40)46-29-45(32-13-11-31(12-14-32)36-6-5-23-53-30-36)54-51(55-46)39-25-37(34-17-21-49-43(27-34)41-7-1-3-9-47(41)56-49)24-38(26-39)35-18-22-50-44(28-35)42-8-2-4-10-48(42)57-50/h1-30H.
What are the key properties of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 735.82 g/mol, XLogP of 13.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130263321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).