2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate

C29H25B2F8N6ORu — CID 139140067

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[O-]c1ccccc1C1=NCCN1.[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C9H10N2O.2BF4.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-8-4-2-1-3-7(8)9-10-5-6-11-9;2*2-1(3,4)5;/h2*1-8H;1-4,12H,5-6H2,(H,10,11);;;/q;;;2*-1;+3/p-1
InChIKeyUUDGXLOCVLYQHP-UHFFFAOYSA-M
MW748.24 g/mol
LogP6.99
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate

2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate (PubChem CID 139140067) has the molecular formula C29H25B2F8N6ORu and a molecular weight of 748.24 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate
PubChem CID139140067
Molecular FormulaC29H25B2F8N6ORu
Molecular Weight748.24 g/mol
Exact Mass749.12
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[O-]c1ccccc1C1=NCCN1.[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C9H10N2O.2BF4.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-8-4-2-1-3-7(8)9-10-5-6-11-9;2*2-1(3,4)5;/h2*1-8H;1-4,12H,5-6H2,(H,10,11);;;/q;;;2*-1;+3/p-1
InChIKeyUUDGXLOCVLYQHP-UHFFFAOYSA-M
XLogP6.99
TPSA99.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.24
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Dicopper;bis(2-[[methyl-[3-(pyridin-2-ylmethylamino)propyl]amino]methyl]phenolate);ditetrafluoroborate
CID 139134421
Dicopper;bis(2-[[3-[methyl(pyridin-2-ylmethyl)amino]propylamino]methyl]phenolate);ditetrafluoroborate
CID 139134422
2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate
CID 139140064
Bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate
CID 139140066
Bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate
CID 139140068
Cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate
CID 139152391

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate (CID 139140067) is 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[O-]c1ccccc1C1=NCCN1.[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate?
The InChIKey is UUDGXLOCVLYQHP-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H8N2.C9H10N2O.2BF4.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-8-4-2-1-3-7(8)9-10-5-6-11-9;2*2-1(3,4)5;/h2*1-8H;1-4,12H,5-6H2,(H,10,11);;;/q;;;2*-1;+3/p-1.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate?
2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate has a molecular weight of 748.24 g/mol, XLogP of 6.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate is sourced from PubChem (CID 139140067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).