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

C51H30FN3O2 — CID 130262094

IUPAC4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3-c3cccnc3)n2)cc1
InChIInChI=1S/C51H30FN3O2/c52-38-19-15-31(16-20-38)45-29-46(55-51(54-45)42-12-2-1-9-39(42)34-8-7-23-53-30-34)37-25-35(32-17-21-49-43(27-32)40-10-3-5-13-47(40)56-49)24-36(26-37)33-18-22-50-44(28-33)41-11-4-6-14-48(41)57-50/h1-30H
InChIKeyLTMBMOMQHSKIHW-UHFFFAOYSA-N
MW735.82 g/mol
LogP13.81
Rot. Bonds6

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

4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130262094) 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]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
PubChem CID130262094
Molecular FormulaC51H30FN3O2
Molecular Weight735.82 g/mol
Exact Mass735.23
IUPAC Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3-c3cccnc3)n2)cc1
InChIInChI=1S/C51H30FN3O2/c52-38-19-15-31(16-20-38)45-29-46(55-51(54-45)42-12-2-1-9-39(42)34-8-7-23-53-30-34)37-25-35(32-17-21-49-43(27-32)40-10-3-5-13-47(40)56-49)24-36(26-37)33-18-22-50-44(28-33)41-11-4-6-14-48(41)57-50/h1-30H
InChIKeyLTMBMOMQHSKIHW-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 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine (CID 130262094) is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine is Fc1ccc(-c2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3-c3cccnc3)n2)cc1.
What is the InChIKey of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is LTMBMOMQHSKIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN3O2/c52-38-19-15-31(16-20-38)45-29-46(55-51(54-45)42-12-2-1-9-39(42)34-8-7-23-53-30-34)37-25-35(32-17-21-49-43(27-32)40-10-3-5-13-47(40)56-49)24-36(26-37)33-18-22-50-44(28-33)41-11-4-6-14-48(41)57-50/h1-30H.
What are the key properties of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-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]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130262094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).