2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol

C47H32N2O2 — CID 170524324

About 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol

2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol (PubChem CID 170524324) has the molecular formula C47H32N2O2 and a molecular weight of 656.79 g/mol. Its IUPAC name is 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
• PubChem CID: 170524324
• Molecular Formula: C47H32N2O2
• Molecular Weight: 656.79 g/mol
• Exact Mass: 656.25
• IUPAC Name: 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
• SMILES: Cc1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)c2)n1
• InChI: InChI=1S/C47H32N2O2/c1-30-25-36(32-21-23-33(24-22-32)38-17-10-18-40-39-15-6-8-20-46(39)51-47(38)40)27-42(48-30)34-13-9-14-35(26-34)43-28-37(31-11-3-2-4-12-31)29-44(49-43)41-16-5-7-19-45(41)50/h2-29,50H,1H3
• InChIKey: QYWRREMVEXBDQT-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.79
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?

The IUPAC name of 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol (CID 170524324) is 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol.

What is the SMILES notation for 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?

The canonical SMILES for 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol is Cc1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)c2)n1.

What is the InChIKey of 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?

The InChIKey is QYWRREMVEXBDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2O2/c1-30-25-36(32-21-23-33(24-22-32)38-17-10-18-40-39-15-6-8-20-46(39)51-47(38)40)27-42(48-30)34-13-9-14-35(26-34)43-28-37(31-11-3-2-4-12-31)29-44(49-43)41-16-5-7-19-45(41)50/h2-29,50H,1H3.

What are the key properties of 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?

2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol has a molecular weight of 656.79 g/mol, XLogP of 12.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 170524324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).