2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine

C36H25N5 — CID 58489481

About 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine

2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine (PubChem CID 58489481) has the molecular formula C36H25N5 and a molecular weight of 527.63 g/mol. Its IUPAC name is 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine.

Molecular Properties

• Compound Name: 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine
• PubChem CID: 58489481
• Molecular Formula: C36H25N5
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.21
• IUPAC Name: 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine
• SMILES: c1ccc(-c2cc(-c3ccc(-n4c(-c5cccnc5)ccc4-c4cccnc4)cc3)cc(-c3ccccn3)c2)nc1
• InChI: InChI=1S/C36H25N5/c1-3-19-39-33(9-1)30-21-29(22-31(23-30)34-10-2-4-20-40-34)26-11-13-32(14-12-26)41-35(27-7-5-17-37-24-27)15-16-36(41)28-8-6-18-38-25-28/h1-25H
• InChIKey: LOXYYXHXLZWHMB-UHFFFAOYSA-N
• XLogP: 8.39
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine?

The IUPAC name of 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine (CID 58489481) is 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine.

What is the SMILES notation for 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine?

The canonical SMILES for 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine is c1ccc(-c2cc(-c3ccc(-n4c(-c5cccnc5)ccc4-c4cccnc4)cc3)cc(-c3ccccn3)c2)nc1.

What is the InChIKey of 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine?

The InChIKey is LOXYYXHXLZWHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N5/c1-3-19-39-33(9-1)30-21-29(22-31(23-30)34-10-2-4-20-40-34)26-11-13-32(14-12-26)41-35(27-7-5-17-37-24-27)15-16-36(41)28-8-6-18-38-25-28/h1-25H.

What are the key properties of 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine?

2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 527.63 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 58489481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).