2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine

C34H22N2O — CID 134271754

IUPAC2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C34H22N2O/c1-3-10-24(11-4-1)30-22-31(25-12-5-2-6-13-25)36-34(35-30)26-20-18-23(19-21-26)27-15-9-16-29-28-14-7-8-17-32(28)37-33(27)29/h1-22H
InChIKeyXHSCLLHEBJYPRO-UHFFFAOYSA-N
MW474.56 g/mol
LogP9.04
Rot. Bonds4

About 2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine

2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine (PubChem CID 134271754) has the molecular formula C34H22N2O and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
PubChem CID134271754
Molecular FormulaC34H22N2O
Molecular Weight474.56 g/mol
Exact Mass474.17
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C34H22N2O/c1-3-10-24(11-4-1)30-22-31(25-12-5-2-6-13-25)36-34(35-30)26-20-18-23(19-21-26)27-15-9-16-29-28-14-7-8-17-32(28)37-33(27)29/h1-22H
InChIKeyXHSCLLHEBJYPRO-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

2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 121460850
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 154613978
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
CID 162075982
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 129223980

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine (CID 134271754) is 2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine?
The InChIKey is XHSCLLHEBJYPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2O/c1-3-10-24(11-4-1)30-22-31(25-12-5-2-6-13-25)36-34(35-30)26-20-18-23(19-21-26)27-15-9-16-29-28-14-7-8-17-32(28)37-33(27)29/h1-22H.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine?
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine 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 2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 134271754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).