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

C51H30FN3O2 — CID 130263311

IUPAC2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C51H30FN3O2/c52-40-18-14-31(15-19-40)45-29-46(35-8-5-7-32(23-35)36-9-6-22-53-30-36)55-51(54-45)39-25-37(33-16-20-49-43(27-33)41-10-1-3-12-47(41)56-49)24-38(26-39)34-17-21-50-44(28-34)42-11-2-4-13-48(42)57-50/h1-30H
InChIKeyXISZNPQGWMAEII-UHFFFAOYSA-N
MW735.82 g/mol
LogP13.81
Rot. Bonds6

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

2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130263311) 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-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID130263311
Molecular FormulaC51H30FN3O2
Molecular Weight735.82 g/mol
Exact Mass735.23
IUPAC Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C51H30FN3O2/c52-40-18-14-31(15-19-40)45-29-46(35-8-5-7-32(23-35)36-9-6-22-53-30-36)55-51(54-45)39-25-37(33-16-20-49-43(27-33)41-10-1-3-12-47(41)56-49)24-38(26-39)34-17-21-50-44(28-34)42-11-2-4-13-48(42)57-50/h1-30H
InChIKeyXISZNPQGWMAEII-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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Related Compounds

5-Dibenzofuran-2-yl-1-(2,6-difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
CID 11467328
2-(4-Dibenzofuran-4-ylmethyl-piperazin-1-yl)-pyrimidine
CID 44304600
2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine
CID 44534779
5-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942625
4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl 3-(trifluoromethyl)benzenecarboxylate
CID 2767848
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 72203962
(4-Phenylmethoxyphenyl)-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 168280538
US9670214, Table 16.61
CID 58560820
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

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 130263311) is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine is Fc1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)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-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is XISZNPQGWMAEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN3O2/c52-40-18-14-31(15-19-40)45-29-46(35-8-5-7-32(23-35)36-9-6-22-53-30-36)55-51(54-45)39-25-37(33-16-20-49-43(27-33)41-10-1-3-12-47(41)56-49)24-38(26-39)34-17-21-50-44(28-34)42-11-2-4-13-48(42)57-50/h1-30H.
What are the key properties of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-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-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130263311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).