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

C45H27N3O2 — CID 155077815

IUPAC4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccn3)cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-2-12-28(13-3-1)45-47-38(32-15-5-4-14-31(32)37-18-10-11-25-46-37)27-39(48-45)35-24-23-30(44-43(35)36-17-7-9-20-41(36)50-44)29-21-22-34-33-16-6-8-19-40(33)49-42(34)26-29/h1-27H
InChIKeyZNKUDFQFELAPSK-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

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

4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine (PubChem CID 155077815) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
PubChem CID155077815
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccn3)cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-2-12-28(13-3-1)45-47-38(32-15-5-4-14-31(32)37-18-10-11-25-46-37)27-39(48-45)35-24-23-30(44-43(35)36-17-7-9-20-41(36)50-44)29-21-22-34-33-16-6-8-19-40(33)49-42(34)26-29/h1-27H
InChIKeyZNKUDFQFELAPSK-UHFFFAOYSA-N
XLogP12.01
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155077811
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077872
4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155078082
2-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 159763916
2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077948
4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 159720364
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731
4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 155078757
4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155079198
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077900
4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079053
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155377270

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine (CID 155077815) is 4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccccc3-c3ccccn3)cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is ZNKUDFQFELAPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-2-12-28(13-3-1)45-47-38(32-15-5-4-14-31(32)37-18-10-11-25-46-37)27-39(48-45)35-24-23-30(44-43(35)36-17-7-9-20-41(36)50-44)29-21-22-34-33-16-6-8-19-40(33)49-42(34)26-29/h1-27H.
What are the key properties of 4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 641.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 155077815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).