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

C51H31N3O2 — CID 155079198

IUPAC4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)cc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)c5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-11-36(12-3-1)51-53-44(31-45(54-51)35-26-24-33(25-27-35)43-17-8-9-30-52-43)34-22-20-32(21-23-34)37-28-29-41(50-48(37)42-14-5-7-19-47(42)56-50)40-16-10-15-39-38-13-4-6-18-46(38)55-49(39)40/h1-31H
InChIKeyWCOAVPIVPAXETL-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

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

4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine (PubChem CID 155079198) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
PubChem CID155079198
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)cc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)c5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-11-36(12-3-1)51-53-44(31-45(54-51)35-26-24-33(25-27-35)43-17-8-9-30-52-43)34-22-20-32(21-23-34)37-28-29-41(50-48(37)42-14-5-7-19-47(42)56-50)40-16-10-15-39-38-13-4-6-18-46(38)55-49(39)40/h1-31H
InChIKeyWCOAVPIVPAXETL-UHFFFAOYSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079153
2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077948
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078777
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155377270
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
5-[4-[4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155079173
4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079072
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077872
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130
4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155077811

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine (CID 155079198) is 4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)cc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)c5oc6ccccc6c45)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is WCOAVPIVPAXETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-11-36(12-3-1)51-53-44(31-45(54-51)35-26-24-33(25-27-35)43-17-8-9-30-52-43)34-22-20-32(21-23-34)37-28-29-41(50-48(37)42-14-5-7-19-47(42)56-50)40-16-10-15-39-38-13-4-6-18-46(38)55-49(39)40/h1-31H.
What are the key properties of 4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 717.83 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 155079198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).