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

C51H31N3O2 — CID 155077820

IUPAC4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3cccnc3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-11-34(12-3-1)51-53-44(30-45(54-51)40-15-5-4-14-37(40)36-13-10-28-52-31-36)33-22-20-32(21-23-33)39-26-25-38(49-42-17-7-9-19-47(42)56-50(39)49)35-24-27-48-43(29-35)41-16-6-8-18-46(41)55-48/h1-31H
InChIKeyXBBZBIOTINTMAA-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

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

4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine (PubChem CID 155077820) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
PubChem CID155077820
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3cccnc3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-11-34(12-3-1)51-53-44(30-45(54-51)40-15-5-4-14-37(40)36-13-10-28-52-31-36)33-22-20-32(21-23-33)39-26-25-38(49-42-17-7-9-19-47(42)56-50(39)49)35-24-27-48-43(29-35)41-16-6-8-18-46(41)55-48/h1-31H
InChIKeyXBBZBIOTINTMAA-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-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 155077884
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262159
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077872
4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077831
4-(1-dibenzofuran-2-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078324
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
CID 155077751
2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077939
4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262345
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 161294511
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155603342
4-[3,5-bis(naphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130261952
2-dibenzofuran-3-yl-4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-pyridin-3-yl-1,3,5-triazine
CID 155077776

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine (CID 155077820) is 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3cccnc3)n2)cc1.
What is the InChIKey of 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is XBBZBIOTINTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-11-34(12-3-1)51-53-44(30-45(54-51)40-15-5-4-14-37(40)36-13-10-28-52-31-36)33-22-20-32(21-23-33)39-26-25-38(49-42-17-7-9-19-47(42)56-50(39)49)35-24-27-48-43(29-35)41-16-6-8-18-46(41)55-48/h1-31H.
What are the key properties of 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine?
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-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-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 155077820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).