bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate

C28H24F12N8P2Ru — CID 139189219

IUPACbis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cncnc1.c1cncnc1
InChIInChI=1S/2C10H8N2.2C4H4N2.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-5-4-6-3-1;2*1-7(2,3,4,5)6;/h2*1-8H;2*1-4H;;;/q;;;;2*-1;+2
InChIKeyXVXAZESTAMVHJM-UHFFFAOYSA-N
MW863.55 g/mol
LogP12.00
Rot. Bonds2

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

bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139189219) has the molecular formula C28H24F12N8P2Ru and a molecular weight of 863.55 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Namebis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate
PubChem CID139189219
Molecular FormulaC28H24F12N8P2Ru
Molecular Weight863.55 g/mol
Exact Mass864.05
IUPAC Namebis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cncnc1.c1cncnc1
InChIInChI=1S/2C10H8N2.2C4H4N2.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-5-4-6-3-1;2*1-7(2,3,4,5)6;/h2*1-8H;2*1-4H;;;/q;;;;2*-1;+2
InChIKeyXVXAZESTAMVHJM-UHFFFAOYSA-N
XLogP12.00
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.55
LogP ≤ 512.00
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

2,4-Dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 5061793
2-Phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 122183050
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 2-(2-pyridyl)pyridine; ruthenium(3+); hexafluorophosphate
CID 6481875
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 2-(2-pyridyl)pyridine; ruthenium(3+); dihexafluorophosphate
CID 6481878
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 2-(2-pyridyl)pyridine; ruthenium(2+); hexafluorophosphate
CID 6481880
6-(7-Trifluoromethylimidazo[1,2-alpha]pyrimidin-3-yl)-2,2'-bipyridine
CID 10268868
6-Fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
CID 53260642
6-(Difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139358864
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
4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 158254835
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
4-Fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine
CID 167531629

Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate (CID 139189219) is bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cncnc1.c1cncnc1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate?
The InChIKey is XVXAZESTAMVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.2C4H4N2.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-5-4-6-3-1;2*1-7(2,3,4,5)6;/h2*1-8H;2*1-4H;;;/q;;;;2*-1;+2.
What are the key properties of bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate?
bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 863.55 g/mol, XLogP of 12.00, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139189219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).