3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine

C₃₆H₂₆N₄ — CID 152822837

About 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine

3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine (PubChem CID 152822837) has the molecular formula C₃₆H₂₆N₄ and a molecular weight of 514.63 g/mol. Its IUPAC name is 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine.

Molecular Properties

• Compound Name: 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine
• PubChem CID: 152822837
• Molecular Formula: C₃₆H₂₆N₄
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.22
• IUPAC Name: 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine
• SMILES: Cc1cc(-c2c3ccccc3c(-c3cnc(-c4ccccn4)c(C)c3)c3ccccc23)cnc1-c1cccnc1
• InChI: InChI=1S/C36H26N4/c1-23-18-26(21-39-35(23)25-10-9-16-37-20-25)33-28-11-3-5-13-30(28)34(31-14-6-4-12-29(31)33)27-19-24(2)36(40-22-27)32-15-7-8-17-38-32/h3-22H,1-2H3
• InChIKey: SUFYFCHXEXTLOD-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine?

The IUPAC name of 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine (CID 152822837) is 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine.

What is the SMILES notation for 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine?

The canonical SMILES for 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine is Cc1cc(-c2c3ccccc3c(-c3cnc(-c4ccccn4)c(C)c3)c3ccccc23)cnc1-c1cccnc1.

What is the InChIKey of 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine?

The InChIKey is SUFYFCHXEXTLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c1-23-18-26(21-39-35(23)25-10-9-16-37-20-25)33-28-11-3-5-13-30(28)34(31-14-6-4-12-29(31)33)27-19-24(2)36(40-22-27)32-15-7-8-17-38-32/h3-22H,1-2H3.

What are the key properties of 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine?

3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine has a molecular weight of 514.63 g/mol, XLogP of 8.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine is sourced from PubChem (CID 152822837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152822837 — identifiers, structure, computed properties (public domain)

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