tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate

C24H18F12N12P2Ru — CID 134159242

IUPACtris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/3C8H6N4.2F6P.Ru/c3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;2*1-7(2,3,4,5)6;/h3*1-6H;;;/q;;;2*-1;+2
InChIKeyRRBHRYNFGGGCST-UHFFFAOYSA-N
MW865.49 g/mol
LogP9.56
Rot. Bonds3

About tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate

tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate (PubChem CID 134159242) has the molecular formula C24H18F12N12P2Ru and a molecular weight of 865.49 g/mol. Its IUPAC name is tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Nametris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate
PubChem CID134159242
Molecular FormulaC24H18F12N12P2Ru
Molecular Weight865.49 g/mol
Exact Mass866.01
IUPAC Nametris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/3C8H6N4.2F6P.Ru/c3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;2*1-7(2,3,4,5)6;/h3*1-6H;;;/q;;;2*-1;+2
InChIKeyRRBHRYNFGGGCST-UHFFFAOYSA-N
XLogP9.56
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.49
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Tris(2,2'-bipyrazine)ruthenium(II) hexafluorophosphate
CID 15376884
[Ru(bpz)3][PF6]2, AldrichCPR
CID 117065413
Tris(2,2'-bipyrazyl)ruthenium(II)
CID 153668
Tris(2-pyrazin-2-ylpyrazine);ruthenium(2+)
CID 163196576
Bis(2-methyl-6-(6-methylpyrazin-2-yl)pyrazine);2-methyl-6-pyrazin-2-ylpyrazine;ruthenium
CID 20805483
2-Pyrazin-2-ylpyrazine;ruthenium
CID 135084578
Bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+)
CID 153475093
Tris(2,2'-bipyrazine)ruthenium
CID 138986841
Tris(2-pyrazin-2-ylpyrazine);ruthenium;dihexafluorophosphate
CID 156009155
CID 178882682
CID 178882682

Frequently Asked Questions

What is the IUPAC name of tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate (CID 134159242) is tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.
What is the InChIKey of tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate?
The InChIKey is RRBHRYNFGGGCST-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H6N4.2F6P.Ru/c3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;2*1-7(2,3,4,5)6;/h3*1-6H;;;/q;;;2*-1;+2.
What are the key properties of tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate?
tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 865.49 g/mol, XLogP of 9.56, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 134159242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).