acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate

C25H20F12N8P2Ru — CID 139141362

IUPACacetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate
SMILESCC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C15H11N3.C8H6N4.C2H3N.2F6P.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-2-3;2*1-7(2,3,4,5)6;/h1-11H;1-6H;1H3;;;/q;;;2*-1;+2
InChIKeyNZZTZWUHENVDIW-UHFFFAOYSA-N
MW823.48 g/mol
LogP11.43
Rot. Bonds3

About acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate

acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate (PubChem CID 139141362) has the molecular formula C25H20F12N8P2Ru and a molecular weight of 823.48 g/mol. Its IUPAC name is acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Nameacetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate
PubChem CID139141362
Molecular FormulaC25H20F12N8P2Ru
Molecular Weight823.48 g/mol
Exact Mass824.01
IUPAC Nameacetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate
SMILESCC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C15H11N3.C8H6N4.C2H3N.2F6P.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-2-3;2*1-7(2,3,4,5)6;/h1-11H;1-6H;1H3;;;/q;;;2*-1;+2
InChIKeyNZZTZWUHENVDIW-UHFFFAOYSA-N
XLogP11.43
TPSA114.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.48
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

iridium(3+);bis(2-methyl-4-pyridin-2-yl-5H-pyrimidin-5-ide);4-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyrimidine
CID 157973675
5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide
CID 161219432
2-tert-butyl-5-pyridin-2-ylpyrimidine;bis(2-tert-butyl-5-pyridin-2-yl-4H-pyrimidin-4-ide);iridium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161509157
Imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
CID 444551
Imidazol-3-ide;osmium(1+);bis(2-pyridin-2-ylpyridine)
CID 446594
2-Imidazol-3-id-2-yl-6-pyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 66575096
bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1H-imidazol-1-yl)osmium(2+)
CID 137349190
bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1H-imidazol-1-yl)ruthenium(2+)
CID 137349193
Imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+)
CID 46936282
Imidazol-3-ide;osmium(2+);bis(2-pyridin-2-ylpyridine)
CID 46936698
[RuCl(tpy)(bpy)][PF6]
CID 138455536
Bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate
CID 139035237

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate?
The IUPAC name of acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate (CID 139141362) is acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate is CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1.
What is the InChIKey of acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate?
The InChIKey is NZZTZWUHENVDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.C8H6N4.C2H3N.2F6P.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-2-3;2*1-7(2,3,4,5)6;/h1-11H;1-6H;1H3;;;/q;;;2*-1;+2.
What are the key properties of acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate?
acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate has a molecular weight of 823.48 g/mol, XLogP of 11.43, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139141362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).