carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

C29H22F12N6OP2Ru — CID 10876649

IUPACcarbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[C-]#[O+].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2ncccc2c1
InChIInChI=1S/2C10H8N2.C8H6N2.CO.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-7-4-2-6-10-8(7)9-5-1;1-2;2*1-7(2,3,4,5)6;/h2*1-8H;1-6H;;;;/q;;;;2*-1;+2
InChIKeyYTKRLQIYEFMMIT-UHFFFAOYSA-N
MW861.53 g/mol
LogP12.64
Rot. Bonds2

About carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 10876649) has the molecular formula C29H22F12N6OP2Ru and a molecular weight of 861.53 g/mol. Its IUPAC name is carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Namecarbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
PubChem CID10876649
Molecular FormulaC29H22F12N6OP2Ru
Molecular Weight861.53 g/mol
Exact Mass862.02
IUPAC Namecarbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[C-]#[O+].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2ncccc2c1
InChIInChI=1S/2C10H8N2.C8H6N2.CO.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-7-4-2-6-10-8(7)9-5-1;1-2;2*1-7(2,3,4,5)6;/h2*1-8H;1-6H;;;;/q;;;;2*-1;+2
InChIKeyYTKRLQIYEFMMIT-UHFFFAOYSA-N
XLogP12.64
TPSA97.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.53
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 140596360
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tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
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nickel;tris(2-pyridin-2-ylpyridine)
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CID 52939847

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (CID 10876649) is carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[C-]#[O+].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2ncccc2c1.
What is the InChIKey of carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The InChIKey is YTKRLQIYEFMMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C8H6N2.CO.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-7-4-2-6-10-8(7)9-5-1;1-2;2*1-7(2,3,4,5)6;/h2*1-8H;1-6H;;;;/q;;;;2*-1;+2.
What are the key properties of carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 861.53 g/mol, XLogP of 12.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1,8-naphthyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 10876649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).