nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)

C54H45NOP3Ru — CID 173393317

IUPACnitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)
SMILES[N-]=O.[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.NO.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;/q;;;-1;+1
InChIKeyGMQAGLFWIXTDPS-UHFFFAOYSA-N
MW917.95 g/mol
LogP10.65
Rot. Bonds9

About nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)

nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane) (PubChem CID 173393317) has the molecular formula C54H45NOP3Ru and a molecular weight of 917.95 g/mol. Its IUPAC name is nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane).

Molecular Properties

Compound Namenitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)
PubChem CID173393317
Molecular FormulaC54H45NOP3Ru
Molecular Weight917.95 g/mol
Exact Mass918.18
IUPAC Namenitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)
SMILES[N-]=O.[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.NO.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;/q;;;-1;+1
InChIKeyGMQAGLFWIXTDPS-UHFFFAOYSA-N
XLogP10.65
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.95
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenylphosphane
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palladium;bis(triphenylphosphane)
CID 10122028
triphenylphosphane;yttrium
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Frequently Asked Questions

What is the IUPAC name of nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)?
The IUPAC name of nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane) (CID 173393317) is nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane).
What is the SMILES notation for nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)?
The canonical SMILES for nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane) is [N-]=O.[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)?
The InChIKey is GMQAGLFWIXTDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15P.NO.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;/q;;;-1;+1.
What are the key properties of nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)?
nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane) has a molecular weight of 917.95 g/mol, XLogP of 10.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane) is sourced from PubChem (CID 173393317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).