2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate

C31H24F6N5PRu — CID 10963599

IUPAC2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Ru+2].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C11H8N.2C10H8N2.F6P.Ru/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h1-6,8-9H;2*1-8H;;/q-1;;;-1;+2
InChIKeyCXKKDTXDQXGJFP-UHFFFAOYSA-N
MW712.60 g/mol
LogP10.22
Rot. Bonds3

About 2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate

2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate (PubChem CID 10963599) has the molecular formula C31H24F6N5PRu and a molecular weight of 712.60 g/mol. Its IUPAC name is 2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate.

Molecular Properties

Compound Name2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
PubChem CID10963599
Molecular FormulaC31H24F6N5PRu
Molecular Weight712.60 g/mol
Exact Mass713.07
IUPAC Name2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Ru+2].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C11H8N.2C10H8N2.F6P.Ru/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h1-6,8-9H;2*1-8H;;/q-1;;;-1;+2
InChIKeyCXKKDTXDQXGJFP-UHFFFAOYSA-N
XLogP10.22
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.60
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
The IUPAC name of 2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate (CID 10963599) is 2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate.
What is the SMILES notation for 2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
The canonical SMILES for 2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate is F[P-](F)(F)(F)(F)F.[Ru+2].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
The InChIKey is CXKKDTXDQXGJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N.2C10H8N2.F6P.Ru/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h1-6,8-9H;2*1-8H;;/q-1;;;-1;+2.
What are the key properties of 2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?
2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate has a molecular weight of 712.60 g/mol, XLogP of 10.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate is sourced from PubChem (CID 10963599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).