acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate

C35H29F12N9P2Ru — CID 139130929

About acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate

acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate (PubChem CID 139130929) has the molecular formula C35H29F12N9P2Ru and a molecular weight of 966.67 g/mol. Its IUPAC name is acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate
• PubChem CID: 139130929
• Molecular Formula: C35H29F12N9P2Ru
• Molecular Weight: 966.67 g/mol
• Exact Mass: 967.09
• IUPAC Name: acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate
• SMILES: CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cc(-c3ccccn3)[nH]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccncc1
• InChI: InChI=1S/C15H11N3.C13H10N4.C5H5N.C2H3N.2F6P.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11;1-2-4-6-5-3-1;1-2-3;2*1-7(2,3,4,5)6;/h1-11H;1-9H,(H,16,17);1-5H;1H3;;;/q;;;;2*-1;+2
• InChIKey: ZUESASGUTBHLLR-UHFFFAOYSA-N
• XLogP: 14.11
• TPSA: 129.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.67
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate?

The IUPAC name of acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate (CID 139130929) is acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate.

What is the SMILES notation for acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate?

The canonical SMILES for acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate is CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cc(-c3ccccn3)[nH]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccncc1.

What is the InChIKey of acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate?

The InChIKey is ZUESASGUTBHLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.C13H10N4.C5H5N.C2H3N.2F6P.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11;1-2-4-6-5-3-1;1-2-3;2*1-7(2,3,4,5)6;/h1-11H;1-9H,(H,16,17);1-5H;1H3;;;/q;;;;2*-1;+2.

What are the key properties of acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate?

acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate has a molecular weight of 966.67 g/mol, XLogP of 14.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;2,6-dipyridin-2-ylpyridine;pyridine;2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139130929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).