4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine

C28H19N3O — CID 155603249

IUPAC4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESCc1nc(-c2cccc(-c3cccnc3)c2)cc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C28H19N3O/c1-18-30-25(20-8-4-7-19(15-20)21-9-6-14-29-17-21)16-26(31-18)24-12-5-11-23-22-10-2-3-13-27(22)32-28(23)24/h2-17H,1H3
InChIKeyLUMWMULWQMSFTD-UHFFFAOYSA-N
MW413.48 g/mol
LogP7.08
Rot. Bonds3

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

4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 155603249) has the molecular formula C28H19N3O and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID155603249
Molecular FormulaC28H19N3O
Molecular Weight413.48 g/mol
Exact Mass413.15
IUPAC Name4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESCc1nc(-c2cccc(-c3cccnc3)c2)cc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C28H19N3O/c1-18-30-25(20-8-4-7-19(15-20)21-9-6-14-29-17-21)16-26(31-18)24-12-5-11-23-22-10-2-3-13-27(22)32-28(23)24/h2-17H,1H3
InChIKeyLUMWMULWQMSFTD-UHFFFAOYSA-N
XLogP7.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155603288
4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 146717257
2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine
CID 155079086
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171584057
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
CID 171585346
4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155078463
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130261906
2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline
CID 155235089
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100159
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine
CID 158686254

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 155603249) is 4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine is Cc1nc(-c2cccc(-c3cccnc3)c2)cc(-c2cccc3c2oc2ccccc23)n1.
What is the InChIKey of 4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is LUMWMULWQMSFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O/c1-18-30-25(20-8-4-7-19(15-20)21-9-6-14-29-17-21)16-26(31-18)24-12-5-11-23-22-10-2-3-13-27(22)32-28(23)24/h2-17H,1H3.
What are the key properties of 4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 413.48 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 155603249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).