carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+)

C22H33N2O3PRu — CID 70679274

IUPACcarbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+)
SMILESCC(C)(C)P(Cc1cccc(-c2ccccn2)n1)C(C)(C)C.CC([O-])O.[C-]#[O+].[H-].[Ru+2]
InChIInChI=1S/C19H27N2P.C2H5O2.CO.Ru.H/c1-18(2,3)22(19(4,5)6)14-15-10-9-12-17(21-15)16-11-7-8-13-20-16;1-2(3)4;1-2;;/h7-13H,14H2,1-6H3;2-3H,1H3;;;/q;-1;;+2;-1
InChIKeySNQCTDLUOLVDTK-UHFFFAOYSA-N
MW505.56 g/mol
LogP4.48
Rot. Bonds3

About carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+)

carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+) (PubChem CID 70679274) has the molecular formula C22H33N2O3PRu and a molecular weight of 505.56 g/mol. Its IUPAC name is carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+).

Molecular Properties

Compound Namecarbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+)
PubChem CID70679274
Molecular FormulaC22H33N2O3PRu
Molecular Weight505.56 g/mol
Exact Mass506.13
IUPAC Namecarbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+)
SMILESCC(C)(C)P(Cc1cccc(-c2ccccn2)n1)C(C)(C)C.CC([O-])O.[C-]#[O+].[H-].[Ru+2]
InChIInChI=1S/C19H27N2P.C2H5O2.CO.Ru.H/c1-18(2,3)22(19(4,5)6)14-15-10-9-12-17(21-15)16-11-7-8-13-20-16;1-2(3)4;1-2;;/h7-13H,14H2,1-6H3;2-3H,1H3;;;/q;-1;;+2;-1
InChIKeySNQCTDLUOLVDTK-UHFFFAOYSA-N
XLogP4.48
TPSA88.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.56
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+) with MolForge

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Related Compounds

carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+)
CID 70679268
ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 122232365
ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane
CID 102310635
2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine
CID 166974134
carbon monoxide;2-pyridin-2-ylpyridine;rhenium
CID 139182627
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane
CID 154703036
ditert-butyl(1,10-phenanthrolin-2-ylmethyl)phosphane
CID 122456424
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide
CID 10961401
2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol
CID 102283028

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+)?
The IUPAC name of carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+) (CID 70679274) is carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+).
What is the SMILES notation for carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+)?
The canonical SMILES for carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+) is CC(C)(C)P(Cc1cccc(-c2ccccn2)n1)C(C)(C)C.CC([O-])O.[C-]#[O+].[H-].[Ru+2].
What is the InChIKey of carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+)?
The InChIKey is SNQCTDLUOLVDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N2P.C2H5O2.CO.Ru.H/c1-18(2,3)22(19(4,5)6)14-15-10-9-12-17(21-15)16-11-7-8-13-20-16;1-2(3)4;1-2;;/h7-13H,14H2,1-6H3;2-3H,1H3;;;/q;-1;;+2;-1.
What are the key properties of carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+)?
carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+) has a molecular weight of 505.56 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+) is sourced from PubChem (CID 70679274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).