bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

C29H27F12N7P2Ru — CID 139133343

IUPACbis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESCC#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.c1ccncc1
InChIInChI=1S/2C10H8N2.C5H5N.2C2H3N.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-5-3-1;2*1-2-3;2*1-7(2,3,4,5)6;/h2*1-8H;1-5H;2*1H3;;;/q;;;;;2*-1;+2
InChIKeyJAQKGTVOJKOHIM-UHFFFAOYSA-N
MW864.58 g/mol
LogP13.19
Rot. Bonds2

About bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139133343) has the molecular formula C29H27F12N7P2Ru and a molecular weight of 864.58 g/mol. Its IUPAC name is bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Namebis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
PubChem CID139133343
Molecular FormulaC29H27F12N7P2Ru
Molecular Weight864.58 g/mol
Exact Mass865.07
IUPAC Namebis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESCC#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.c1ccncc1
InChIInChI=1S/2C10H8N2.C5H5N.2C2H3N.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-5-3-1;2*1-2-3;2*1-7(2,3,4,5)6;/h2*1-8H;1-5H;2*1H3;;;/q;;;;;2*-1;+2
InChIKeyJAQKGTVOJKOHIM-UHFFFAOYSA-N
XLogP13.19
TPSA112.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.58
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(acetonitrile);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 11320289
bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);bis(ruthenium(2+));tetrahexafluorophosphate
CID 139184896
acetonitrile;bis(2,6-dipyridin-2-ylpyridine);ethoxyethane;propan-2-one;pyridine;2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate
CID 139136940
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
acetonitrile;2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole;oxolane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139253406
bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate
CID 156597290
benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine
CID 58352556
octakis(acetonitrile);2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine;bis(ruthenium(2+));tetratetrafluoroborate;tetrahydrate
CID 139136377
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
bis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
CID 11422486
pyridin-4-amine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
CID 11180709
acetonitrile;2,6-dipyridin-2-ylpyridine;osmium;2-phenyl-4,5-dihydro-1,3-oxazole;hexafluorophosphate
CID 71715009

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (CID 139133343) is bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for bis(acetonitrile);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.c1ccncc1.
What is the InChIKey of bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The InChIKey is JAQKGTVOJKOHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C5H5N.2C2H3N.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-5-3-1;2*1-2-3;2*1-7(2,3,4,5)6;/h2*1-8H;1-5H;2*1H3;;;/q;;;;;2*-1;+2.
What are the key properties of bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 864.58 g/mol, XLogP of 13.19, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139133343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).