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

C32H35F12N7O3P2Ru — CID 139253406

IUPACacetonitrile;2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole;oxolane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESC1CCOC1.C1COC(C2=NCCO2)=N1.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H8N2O2.C4H8O.C2H3N.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-5(7-1)6-8-2-4-10-6;1-2-4-5-3-1;1-2-3;2*1-7(2,3,4,5)6;/h2*1-8H;1-4H2;1-4H2;1H3;;;/q;;;;;2*-1;+2
InChIKeyPOWVHFNXJXHARW-UHFFFAOYSA-N
MW956.67 g/mol
LogP12.22
Rot. Bonds3

About 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

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 (PubChem CID 139253406) has the molecular formula C32H35F12N7O3P2Ru and a molecular weight of 956.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameacetonitrile;2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole;oxolane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
PubChem CID139253406
Molecular FormulaC32H35F12N7O3P2Ru
Molecular Weight956.67 g/mol
Exact Mass957.11
IUPAC Nameacetonitrile;2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole;oxolane;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESC1CCOC1.C1COC(C2=NCCO2)=N1.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H8N2O2.C4H8O.C2H3N.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-5(7-1)6-8-2-4-10-6;1-2-4-5-3-1;1-2-3;2*1-7(2,3,4,5)6;/h2*1-8H;1-4H2;1-4H2;1H3;;;/q;;;;;2*-1;+2
InChIKeyPOWVHFNXJXHARW-UHFFFAOYSA-N
XLogP12.22
TPSA127.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.67
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

acetonitrile;2,6-dipyridin-2-ylpyridine;osmium;2-phenyl-4,5-dihydro-1,3-oxazole;hexafluorophosphate
CID 71715009
bis(acetonitrile);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 11320289
bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139133343
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
octakis(acetonitrile);tetrakis(copper(1+));2-[2-[4-(1,3-dipyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-2-yl)phenyl]-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine;tetrahexafluorophosphate
CID 139135646
octakis(acetonitrile);2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine;bis(ruthenium(2+));tetratetrafluoroborate;tetrahydrate
CID 139136377
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate
CID 156597290
13,14,30,31-tetrapyridin-2-yl-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene
CID 102343611
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
CID 139049192
CID 139049192
silver;bis(5-pyridin-2-ylpyrazine-2-carbonitrile);hexafluorophosphate
CID 139082710

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CCOC1.C1COC(C2=NCCO2)=N1.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 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?
The InChIKey is POWVHFNXJXHARW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C6H8N2O2.C4H8O.C2H3N.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-5(7-1)6-8-2-4-10-6;1-2-4-5-3-1;1-2-3;2*1-7(2,3,4,5)6;/h2*1-8H;1-4H2;1-4H2;1H3;;;/q;;;;;2*-1;+2.
What are the key properties of 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?
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 has a molecular weight of 956.67 g/mol, XLogP of 12.22, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139253406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).