bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

C38H34F12N10P2Ru — CID 139142695

About bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139142695) has the molecular formula C38H34F12N10P2Ru and a molecular weight of 1021.75 g/mol. Its IUPAC name is bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
• PubChem CID: 139142695
• Molecular Formula: C38H34F12N10P2Ru
• Molecular Weight: 1021.75 g/mol
• Exact Mass: 1022.13
• IUPAC Name: bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
• SMILES: CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(Cc2cn(-c3ccccn3)nn2)cc1
• InChI: InChI=1S/C14H12N4.2C10H8N2.2C2H3N.2F6P.Ru/c1-2-6-12(7-3-1)10-13-11-18(17-16-13)14-8-4-5-9-15-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;2*1-7(2,3,4,5)6;/h1-9,11H,10H2;2*1-8H;2*1H3;;;/q;;;;;2*-1;+2
• InChIKey: BUOJETLYHQBCSC-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 142.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.75
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The IUPAC name of bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (CID 139142695) is bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

What is the SMILES notation for bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The canonical SMILES for bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(Cc2cn(-c3ccccn3)nn2)cc1.

What is the InChIKey of bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The InChIKey is BUOJETLYHQBCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4.2C10H8N2.2C2H3N.2F6P.Ru/c1-2-6-12(7-3-1)10-13-11-18(17-16-13)14-8-4-5-9-15-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;2*1-7(2,3,4,5)6;/h1-9,11H,10H2;2*1-8H;2*1H3;;;/q;;;;;2*-1;+2.

What are the key properties of bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 1021.75 g/mol, XLogP of 14.36, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);2-(4-benzyltriazol-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139142695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).