2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate

C39H30Cl2N10O8Ru — CID 72734576

About 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate

2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate (PubChem CID 72734576) has the molecular formula C39H30Cl2N10O8Ru and a molecular weight of 938.71 g/mol. Its IUPAC name is 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate.

Molecular Properties

• Compound Name: 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate
• PubChem CID: 72734576
• Molecular Formula: C39H30Cl2N10O8Ru
• Molecular Weight: 938.71 g/mol
• Exact Mass: 938.07
• IUPAC Name: 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate
• SMILES: [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
• InChI: InChI=1S/C19H12N4.2C10H9N3.2ClHO4.Ru/c1-2-6-12(7-3-1)19-22-17-13-8-4-10-20-15(13)16-14(18(17)23-19)9-5-11-21-16;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3,4)5;/h1-11H,(H,22,23);2*1-8H,(H,11,12,13);2*(H,2,3,4,5);/q;;;;;+2/p-2
• InChIKey: QNAQQCRUUJSBMS-UHFFFAOYSA-L
• XLogP: -0.75
• TPSA: 314.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.71
LogP ≤ 5	-0.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate?

The IUPAC name of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate (CID 72734576) is 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate.

What is the SMILES notation for 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate?

The canonical SMILES for 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1.

What is the InChIKey of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate?

The InChIKey is QNAQQCRUUJSBMS-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H12N4.2C10H9N3.2ClHO4.Ru/c1-2-6-12(7-3-1)19-22-17-13-8-4-10-20-15(13)16-14(18(17)23-19)9-5-11-21-16;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3,4)5;/h1-11H,(H,22,23);2*1-8H,(H,11,12,13);2*(H,2,3,4,5);/q;;;;;+2/p-2.

What are the key properties of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate?

2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate has a molecular weight of 938.71 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate is sourced from PubChem (CID 72734576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).