3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate

C45H29Cl2N11O8Ru — CID 11193998

About 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate

3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate (PubChem CID 11193998) has the molecular formula C45H29Cl2N11O8Ru and a molecular weight of 1023.77 g/mol. Its IUPAC name is 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate.

Molecular Properties

• Compound Name: 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
• PubChem CID: 11193998
• Molecular Formula: C45H29Cl2N11O8Ru
• Molecular Weight: 1023.77 g/mol
• Exact Mass: 1023.06
• IUPAC Name: 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
• SMILES: [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1ccc(-c3nnc4c5cccnc5c5ncccc5c4n3)nc12
• InChI: InChI=1S/C25H13N7.2C10H8N2.2ClHO4.Ru/c1-4-14-7-8-15-9-10-18(29-20(15)19(14)26-11-1)25-30-23-16-5-2-12-27-21(16)22-17(6-3-13-28-22)24(23)31-32-25;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h1-13H;2*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2
• InChIKey: RWKFXFRDUNHBAX-UHFFFAOYSA-L
• XLogP: -0.34
• TPSA: 326.27 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 3
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.77
LogP ≤ 5	-0.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?

The IUPAC name of 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate (CID 11193998) is 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate.

What is the SMILES notation for 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?

The canonical SMILES for 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1ccc(-c3nnc4c5cccnc5c5ncccc5c4n3)nc12.

What is the InChIKey of 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?

The InChIKey is RWKFXFRDUNHBAX-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H13N7.2C10H8N2.2ClHO4.Ru/c1-4-14-7-8-15-9-10-18(29-20(15)19(14)26-11-1)25-30-23-16-5-2-12-27-21(16)22-17(6-3-13-28-22)24(23)31-32-25;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h1-13H;2*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2.

What are the key properties of 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?

3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate has a molecular weight of 1023.77 g/mol, XLogP of -0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,10-phenanthrolin-2-yl)-[1,2,4]triazino[6,5-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate is sourced from PubChem (CID 11193998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).