4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine

C34H22N2O — CID 155079111

IUPAC4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)ncn3)c2)cc1
InChIInChI=1S/C34H22N2O/c1-3-9-23(10-4-1)26-17-27(24-11-5-2-6-12-24)19-28(18-26)32-21-31(35-22-36-32)25-15-16-30-29-13-7-8-14-33(29)37-34(30)20-25/h1-22H
InChIKeyLVHVNEXJBNOKRD-UHFFFAOYSA-N
MW474.56 g/mol
LogP9.04
Rot. Bonds4

About 4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine

4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine (PubChem CID 155079111) has the molecular formula C34H22N2O and a molecular weight of 474.56 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine
PubChem CID155079111
Molecular FormulaC34H22N2O
Molecular Weight474.56 g/mol
Exact Mass474.17
IUPAC Name4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)ncn3)c2)cc1
InChIInChI=1S/C34H22N2O/c1-3-9-23(10-4-1)26-17-27(24-11-5-2-6-12-24)19-28(18-26)32-21-31(35-22-36-32)25-15-16-30-29-13-7-8-14-33(29)37-34(30)20-25/h1-22H
InChIKeyLVHVNEXJBNOKRD-UHFFFAOYSA-N
XLogP9.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzofuran-3-yl-6-[4-(3,5-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 138659621
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 171582533
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155078226
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600
4-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171583452
4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 149371859
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-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 171583004

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine (CID 155079111) is 4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)ncn3)c2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine?
The InChIKey is LVHVNEXJBNOKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2O/c1-3-9-23(10-4-1)26-17-27(24-11-5-2-6-12-24)19-28(18-26)32-21-31(35-22-36-32)25-15-16-30-29-13-7-8-14-33(29)37-34(30)20-25/h1-22H.
What are the key properties of 4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine?
4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine has a molecular weight of 474.56 g/mol, XLogP of 9.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine is sourced from PubChem (CID 155079111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).