6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline

C37H23N7 — CID 158047088

About 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline

6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline (PubChem CID 158047088) has the molecular formula C37H23N7 and a molecular weight of 565.64 g/mol. Its IUPAC name is 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline.

Molecular Properties

• Compound Name: 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
• PubChem CID: 158047088
• Molecular Formula: C37H23N7
• Molecular Weight: 565.64 g/mol
• Exact Mass: 565.20
• IUPAC Name: 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
• SMILES: c1ccc(-c2cc(-c3cc4ccc(-c5ccc(-c6ncccn6)cc5)nc4c4ncccc34)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C37H23N7/c1-3-16-38-31(8-1)33-22-27(23-34(43-33)32-9-2-4-17-39-32)29-21-26-14-15-30(44-35(26)36-28(29)7-5-18-40-36)24-10-12-25(13-11-24)37-41-19-6-20-42-37/h1-23H
• InChIKey: FJAXMFMCGYHMRY-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.64
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline?

The IUPAC name of 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline (CID 158047088) is 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline.

What is the SMILES notation for 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline?

The canonical SMILES for 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline is c1ccc(-c2cc(-c3cc4ccc(-c5ccc(-c6ncccn6)cc5)nc4c4ncccc34)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline?

The InChIKey is FJAXMFMCGYHMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N7/c1-3-16-38-31(8-1)33-22-27(23-34(43-33)32-9-2-4-17-39-32)29-21-26-14-15-30(44-35(26)36-28(29)7-5-18-40-36)24-10-12-25(13-11-24)37-41-19-6-20-42-37/h1-23H.

What are the key properties of 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline?

6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline has a molecular weight of 565.64 g/mol, XLogP of 8.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 158047088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).