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

C51H30FN3O2 — CID 130263391

IUPAC4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C51H30FN3O2/c52-40-19-15-33(16-20-40)51-54-45(32-13-11-31(12-14-32)36-6-5-23-53-30-36)29-46(55-51)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
InChIKeyCIOJKNNXCDWTHI-UHFFFAOYSA-N
MW735.82 g/mol
LogP13.81
Rot. Bonds6

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

4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130263391) has the molecular formula C51H30FN3O2 and a molecular weight of 735.82 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID130263391
Molecular FormulaC51H30FN3O2
Molecular Weight735.82 g/mol
Exact Mass735.23
IUPAC Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C51H30FN3O2/c52-40-19-15-33(16-20-40)51-54-45(32-13-11-31(12-14-32)36-6-5-23-53-30-36)29-46(55-51)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
InChIKeyCIOJKNNXCDWTHI-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

4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171585089
4-(4-dibenzofuran-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262931
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262159
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 150536017
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130261906
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4-[3,5-bis(naphtho[1,2-b][1]benzofuran-8-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130261875
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
CID 154949936
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 155077884

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 130263391) is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine is Fc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is CIOJKNNXCDWTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN3O2/c52-40-19-15-33(16-20-40)51-54-45(32-13-11-31(12-14-32)36-6-5-23-53-30-36)29-46(55-51)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 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(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 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130263391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).