2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline

C33H22N6 — CID 158270665

About 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline

2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline (PubChem CID 158270665) has the molecular formula C33H22N6 and a molecular weight of 502.58 g/mol. Its IUPAC name is 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline
• PubChem CID: 158270665
• Molecular Formula: C33H22N6
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.19
• IUPAC Name: 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2cc(Cc3cc(-c4ccccn4)nc(-c4ccc5ccc6cccnc6c5n4)c3)ccn2)nc1
• InChI: InChI=1S/C33H22N6/c1-3-14-34-26(7-1)29-19-22(13-17-36-29)18-23-20-30(27-8-2-4-15-35-27)38-31(21-23)28-12-11-25-10-9-24-6-5-16-37-32(24)33(25)39-28/h1-17,19-21H,18H2
• InChIKey: VATGOCXPESQMLX-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline?

The IUPAC name of 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline (CID 158270665) is 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline.

What is the SMILES notation for 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline?

The canonical SMILES for 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline is c1ccc(-c2cc(Cc3cc(-c4ccccn4)nc(-c4ccc5ccc6cccnc6c5n4)c3)ccn2)nc1.

What is the InChIKey of 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline?

The InChIKey is VATGOCXPESQMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N6/c1-3-14-34-26(7-1)29-19-22(13-17-36-29)18-23-20-30(27-8-2-4-15-35-27)38-31(21-23)28-12-11-25-10-9-24-6-5-16-37-32(24)33(25)39-28/h1-17,19-21H,18H2.

What are the key properties of 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline?

2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline has a molecular weight of 502.58 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline is sourced from PubChem (CID 158270665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).