2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine

C37H27N5 — CID 126732793

About 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine

2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine (PubChem CID 126732793) has the molecular formula C37H27N5 and a molecular weight of 541.66 g/mol. Its IUPAC name is 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine
• PubChem CID: 126732793
• Molecular Formula: C37H27N5
• Molecular Weight: 541.66 g/mol
• Exact Mass: 541.23
• IUPAC Name: 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine
• SMILES: Cn1c(-c2cccc(-c3ccccn3)n2)c(-c2ccccc2)c(-c2ccccc2)c1-c1cccc(-c2ccccn2)n1
• InChI: InChI=1S/C37H27N5/c1-42-36(32-22-12-20-30(40-32)28-18-8-10-24-38-28)34(26-14-4-2-5-15-26)35(27-16-6-3-7-17-27)37(42)33-23-13-21-31(41-33)29-19-9-11-25-39-29/h2-25H,1H3
• InChIKey: YUUHRDKDFBRSSV-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.66
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine?

The IUPAC name of 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine (CID 126732793) is 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine.

What is the SMILES notation for 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine?

The canonical SMILES for 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine is Cn1c(-c2cccc(-c3ccccn3)n2)c(-c2ccccc2)c(-c2ccccc2)c1-c1cccc(-c2ccccn2)n1.

What is the InChIKey of 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine?

The InChIKey is YUUHRDKDFBRSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N5/c1-42-36(32-22-12-20-30(40-32)28-18-8-10-24-38-28)34(26-14-4-2-5-15-26)35(27-16-6-3-7-17-27)37(42)33-23-13-21-31(41-33)29-19-9-11-25-39-29/h2-25H,1H3.

What are the key properties of 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine?

2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine has a molecular weight of 541.66 g/mol, XLogP of 8.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)pyrrol-2-yl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 126732793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).