ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate

C30H24F12N6P2Ru — CID 71311090

IUPACruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[Ru+2]
InChIInChI=1S/3C10H8N2.2F6P.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2/i3*1D,2D,3D,4D,5D,6D,7D,8D;;;
InChIKeyKLDYQWXVZLHTKT-LUXBKWEBSA-N
MW883.70 g/mol
LogP13.19
Rot. Bonds3

About ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate

ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate (PubChem CID 71311090) has the molecular formula C30H24F12N6P2Ru and a molecular weight of 883.70 g/mol. Its IUPAC name is ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate.

Molecular Properties

Compound Nameruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate
PubChem CID71311090
Molecular FormulaC30H24F12N6P2Ru
Molecular Weight883.70 g/mol
Exact Mass884.19
IUPAC Nameruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[Ru+2]
InChIInChI=1S/3C10H8N2.2F6P.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2/i3*1D,2D,3D,4D,5D,6D,7D,8D;;;
InChIKeyKLDYQWXVZLHTKT-LUXBKWEBSA-N
XLogP13.19
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.70
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate?
The IUPAC name of ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate (CID 71311090) is ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate.
What is the SMILES notation for ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate?
The canonical SMILES for ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[2H]c1nc(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[Ru+2].
What is the InChIKey of ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate?
The InChIKey is KLDYQWXVZLHTKT-LUXBKWEBSA-N. The full InChI is InChI=1S/3C10H8N2.2F6P.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2/i3*1D,2D,3D,4D,5D,6D,7D,8D;;;.
What are the key properties of ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate?
ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate has a molecular weight of 883.70 g/mol, XLogP of 13.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium(2+);tris(2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)pyridine);dihexafluorophosphate is sourced from PubChem (CID 71311090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).