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

C34H22N2O — CID 155078226

IUPAC4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)ncn3)c2)cc1
InChIInChI=1S/C34H22N2O/c1-3-10-23(11-4-1)25-18-26(24-12-5-2-6-13-24)20-27(19-25)31-21-32(36-22-35-31)30-16-9-15-29-28-14-7-8-17-33(28)37-34(29)30/h1-22H
InChIKeyFPCCNUHKOTVURL-UHFFFAOYSA-N
MW474.56 g/mol
LogP9.04
Rot. Bonds4

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

4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine (PubChem CID 155078226) has the molecular formula C34H22N2O and a molecular weight of 474.56 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine
PubChem CID155078226
Molecular FormulaC34H22N2O
Molecular Weight474.56 g/mol
Exact Mass474.17
IUPAC Name4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)ncn3)c2)cc1
InChIInChI=1S/C34H22N2O/c1-3-10-23(11-4-1)25-18-26(24-12-5-2-6-13-24)20-27(19-25)31-21-32(36-22-35-31)30-16-9-15-29-28-14-7-8-17-33(28)37-34(29)30/h1-22H
InChIKeyFPCCNUHKOTVURL-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-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155079111
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 130465782
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline
CID 154949961
4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349534

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine (CID 155078226) is 4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)ncn3)c2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine?
The InChIKey is FPCCNUHKOTVURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2O/c1-3-10-23(11-4-1)25-18-26(24-12-5-2-6-13-24)20-27(19-25)31-21-32(36-22-35-31)30-16-9-15-29-28-14-7-8-17-33(28)37-34(29)30/h1-22H.
What are the key properties of 4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine?
4-dibenzofuran-4-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-4-yl-6-(3,5-diphenylphenyl)pyrimidine is sourced from PubChem (CID 155078226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).