4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine

C28H19N3O — CID 155603288

IUPAC4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESCc1nc(-c2cccc(-c3cccnc3)c2)cc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C28H19N3O/c1-18-30-24(20-8-4-7-19(15-20)21-9-6-14-29-17-21)16-25(31-18)22-11-5-13-27-28(22)23-10-2-3-12-26(23)32-27/h2-17H,1H3
InChIKeyRAHABJVMSGJUJK-UHFFFAOYSA-N
MW413.48 g/mol
LogP7.08
Rot. Bonds3

About 4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine

4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 155603288) has the molecular formula C28H19N3O and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID155603288
Molecular FormulaC28H19N3O
Molecular Weight413.48 g/mol
Exact Mass413.15
IUPAC Name4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESCc1nc(-c2cccc(-c3cccnc3)c2)cc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C28H19N3O/c1-18-30-24(20-8-4-7-19(15-20)21-9-6-14-29-17-21)16-25(31-18)22-11-5-13-27-28(22)23-10-2-3-12-26(23)32-27/h2-17H,1H3
InChIKeyRAHABJVMSGJUJK-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-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155603249
4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155078463
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 161294511
2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077939
4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine
CID 149347803
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130261906
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263357
2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine
CID 153093289
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262706
4-dibenzothiophen-3-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155603267
4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077831

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 155603288) is 4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine is Cc1nc(-c2cccc(-c3cccnc3)c2)cc(-c2cccc3oc4ccccc4c23)n1.
What is the InChIKey of 4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is RAHABJVMSGJUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O/c1-18-30-24(20-8-4-7-19(15-20)21-9-6-14-29-17-21)16-25(31-18)22-11-5-13-27-28(22)23-10-2-3-12-26(23)32-27/h2-17H,1H3.
What are the key properties of 4-dibenzofuran-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
4-dibenzofuran-1-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-1-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 155603288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).