2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

C54H37N11Ru+2 — CID 139253513

About 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (PubChem CID 139253513) has the molecular formula C54H37N11Ru+2 and a molecular weight of 941.04 g/mol. Its IUPAC name is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

Molecular Properties

• Compound Name: 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
• PubChem CID: 139253513
• Molecular Formula: C54H37N11Ru+2
• Molecular Weight: 941.04 g/mol
• Exact Mass: 941.23
• IUPAC Name: 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
• SMILES: [Ru+2].c1ccc(-c2cc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C34H21N7.2C10H8N2.Ru/c1-3-15-35-26(9-1)28-19-23(20-29(39-28)27-10-2-4-16-36-27)21-11-13-22(14-12-21)34-40-32-24-7-5-17-37-30(24)31-25(33(32)41-34)8-6-18-38-31;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-20H,(H,40,41);2*1-8H;/q;;;+2
• InChIKey: QPYUQAVCBRMZRP-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 144.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.04
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

The IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (CID 139253513) is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

What is the SMILES notation for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

The canonical SMILES for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is [Ru+2].c1ccc(-c2cc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

The InChIKey is QPYUQAVCBRMZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N7.2C10H8N2.Ru/c1-3-15-35-26(9-1)28-19-23(20-29(39-28)27-10-2-4-16-36-27)21-11-13-22(14-12-21)34-40-32-24-7-5-17-37-30(24)31-25(33(32)41-34)8-6-18-38-31;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-20H,(H,40,41);2*1-8H;/q;;;+2.

What are the key properties of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+) has a molecular weight of 941.04 g/mol, XLogP of 11.80, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is sourced from PubChem (CID 139253513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).