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

C51H31N3O2 — CID 155077872

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

4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine (PubChem CID 155077872) 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-2-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
• PubChem CID: 155077872
• Molecular Formula: C51H31N3O2
• Molecular Weight: 717.83 g/mol
• Exact Mass: 717.24
• IUPAC Name: 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3ccccn3)n2)cc1
• InChI: InChI=1S/C51H31N3O2/c1-2-12-34(13-3-1)51-53-44(31-45(54-51)39-15-5-4-14-38(39)43-18-10-11-29-52-43)33-23-21-32(22-24-33)37-27-26-36(49-41-17-7-9-20-47(41)56-50(37)49)35-25-28-48-42(30-35)40-16-6-8-19-46(40)55-48/h1-31H
• InChIKey: NPQAJSPXLVGJGC-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.83
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?

The IUPAC name of 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine (CID 155077872) is 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine.

What is the SMILES notation for 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?

The canonical SMILES for 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3ccccn3)n2)cc1.

What is the InChIKey of 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?

The InChIKey is NPQAJSPXLVGJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-12-34(13-3-1)51-53-44(31-45(54-51)39-15-5-4-14-38(39)43-18-10-11-29-52-43)33-23-21-32(22-24-33)37-27-26-36(49-41-17-7-9-20-47(41)56-50(37)49)35-25-28-48-42(30-35)40-16-6-8-19-46(40)55-48/h1-31H.

What are the key properties of 4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?

4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-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-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 155077872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).