bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate

C46H30F12N6P2Ru — CID 139126602

IUPACbis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1.c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1
InChIInChI=1S/2C23H15N3.2F6P.Ru/c2*1-6-16-8-4-14-24-22(16)18(10-1)20-12-3-13-21(26-20)19-11-2-7-17-9-5-15-25-23(17)19;2*1-7(2,3,4,5)6;/h2*1-15H;;;/q;;2*-1;+2
InChIKeyVMYYXTZFVYQGLA-UHFFFAOYSA-N
MW1057.78 g/mol
LogP17.79
Rot. Bonds4

About bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate

bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate (PubChem CID 139126602) has the molecular formula C46H30F12N6P2Ru and a molecular weight of 1057.78 g/mol. Its IUPAC name is bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Namebis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate
PubChem CID139126602
Molecular FormulaC46H30F12N6P2Ru
Molecular Weight1057.78 g/mol
Exact Mass1058.09
IUPAC Namebis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1.c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1
InChIInChI=1S/2C23H15N3.2F6P.Ru/c2*1-6-16-8-4-14-24-22(16)18(10-1)20-12-3-13-21(26-20)19-11-2-7-17-9-5-15-25-23(17)19;2*1-7(2,3,4,5)6;/h2*1-15H;;;/q;;2*-1;+2
InChIKeyVMYYXTZFVYQGLA-UHFFFAOYSA-N
XLogP17.79
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.78
LogP ≤ 517.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
CID 175753824
8-pyridin-2-ylquinoline
CID 10982041
6-quinolin-8-ylpyridin-2-amine
CID 81223969
2-methyl-6-(6-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium(1+);dihexafluorophosphate
CID 11355044
N-ethyl-6-quinolin-8-ylpyridin-2-amine
CID 81221506
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
mercury;8-phenylquinoline;hydrate
CID 174770535
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
bis(1,10-phenanthroline);ruthenium
CID 15001085
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798

Frequently Asked Questions

What is the IUPAC name of bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate (CID 139126602) is bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1.c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1.
What is the InChIKey of bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate?
The InChIKey is VMYYXTZFVYQGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H15N3.2F6P.Ru/c2*1-6-16-8-4-14-24-22(16)18(10-1)20-12-3-13-21(26-20)19-11-2-7-17-9-5-15-25-23(17)19;2*1-7(2,3,4,5)6;/h2*1-15H;;;/q;;2*-1;+2.
What are the key properties of bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate?
bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate has a molecular weight of 1057.78 g/mol, XLogP of 17.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139126602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).