(2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate)

C32H32As2F6N4O6RuS2 — CID 139154826

About (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate)

(2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate) (PubChem CID 139154826) has the molecular formula C32H32As2F6N4O6RuS2 and a molecular weight of 997.67 g/mol. Its IUPAC name is (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate)
• PubChem CID: 139154826
• Molecular Formula: C32H32As2F6N4O6RuS2
• Molecular Weight: 997.67 g/mol
• Exact Mass: 997.91
• IUPAC Name: (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate)
• SMILES: C[As](C)c1ccccc1[As](C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C10H16As2.2C10H8N2.2CHF3O3S.Ru/c1-11(2)9-7-5-6-8-10(9)12(3)4;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;/h5-8H,1-4H3;2*1-8H;2*(H,5,6,7);/q;;;;;+2/p-2
• InChIKey: XQVVHAFETPESHJ-UHFFFAOYSA-L
• XLogP: 6.00
• TPSA: 165.96 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.67
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate)?

The IUPAC name of (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate) (CID 139154826) is (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate).

What is the SMILES notation for (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate)?

The canonical SMILES for (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate) is C[As](C)c1ccccc1[As](C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate)?

The InChIKey is XQVVHAFETPESHJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16As2.2C10H8N2.2CHF3O3S.Ru/c1-11(2)9-7-5-6-8-10(9)12(3)4;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;/h5-8H,1-4H3;2*1-8H;2*(H,5,6,7);/q;;;;;+2/p-2.

What are the key properties of (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate)?

(2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate) has a molecular weight of 997.67 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2-dimethylarsanylphenyl)-dimethylarsane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139154826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).