2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate

C34H26F18N8P3Ru — CID 139261288

IUPAC2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nccnc2-c2ccccn2)nc1
InChIInChI=1S/C14H10N4.2C10H8N2.3F6P.Ru/c1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-7(2,3,4,5)6;/h1-10H;2*1-8H;;;;/q;;;3*-1;+3
InChIKeyAMJDXONMYBKMSR-UHFFFAOYSA-N
MW1082.59 g/mol
LogP17.03
Rot. Bonds4

About 2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate

2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate (PubChem CID 139261288) has the molecular formula C34H26F18N8P3Ru and a molecular weight of 1082.59 g/mol. Its IUPAC name is 2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate.

Molecular Properties

Compound Name2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate
PubChem CID139261288
Molecular FormulaC34H26F18N8P3Ru
Molecular Weight1082.59 g/mol
Exact Mass1083.02
IUPAC Name2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nccnc2-c2ccccn2)nc1
InChIInChI=1S/C14H10N4.2C10H8N2.3F6P.Ru/c1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-7(2,3,4,5)6;/h1-10H;2*1-8H;;;;/q;;;3*-1;+3
InChIKeyAMJDXONMYBKMSR-UHFFFAOYSA-N
XLogP17.03
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.59
LogP ≤ 517.03
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

2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate
CID 156597290
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
bis(acetonitrile);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 11320289
2-pyridin-2-ylpyridine tetrafluoroborate
CID 87562817
pyrrolo[3,2-b]azepine
CID 66934182

Frequently Asked Questions

What is the IUPAC name of 2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate?
The IUPAC name of 2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate (CID 139261288) is 2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate.
What is the SMILES notation for 2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate?
The canonical SMILES for 2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nccnc2-c2ccccn2)nc1.
What is the InChIKey of 2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate?
The InChIKey is AMJDXONMYBKMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4.2C10H8N2.3F6P.Ru/c1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-7(2,3,4,5)6;/h1-10H;2*1-8H;;;;/q;;;3*-1;+3.
What are the key properties of 2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate?
2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate has a molecular weight of 1082.59 g/mol, XLogP of 17.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate is sourced from PubChem (CID 139261288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).