formaldehyde;ruthenium;tris(triphenylphosphanium)

C57H54O3P3Ru+3 — CID 22165433

IUPACformaldehyde;ruthenium;tris(triphenylphosphanium)
SMILESC=O.C=O.C=O.[Ru].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.3CH2O.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2;/h3*1-15H;3*1H2;/p+3
InChIKeyLDSBCQXZPMRNGH-UHFFFAOYSA-Q
MW981.05 g/mol
LogP8.97
Rot. Bonds9

About formaldehyde;ruthenium;tris(triphenylphosphanium)

formaldehyde;ruthenium;tris(triphenylphosphanium) (PubChem CID 22165433) has the molecular formula C57H54O3P3Ru+3 and a molecular weight of 981.05 g/mol. Its IUPAC name is formaldehyde;ruthenium;tris(triphenylphosphanium).

Molecular Properties

Compound Nameformaldehyde;ruthenium;tris(triphenylphosphanium)
PubChem CID22165433
Molecular FormulaC57H54O3P3Ru+3
Molecular Weight981.05 g/mol
Exact Mass981.23
IUPAC Nameformaldehyde;ruthenium;tris(triphenylphosphanium)
SMILESC=O.C=O.C=O.[Ru].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.3CH2O.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2;/h3*1-15H;3*1H2;/p+3
InChIKeyLDSBCQXZPMRNGH-UHFFFAOYSA-Q
XLogP8.97
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.05
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;ruthenium;tris(triphenylphosphanium)?
The IUPAC name of formaldehyde;ruthenium;tris(triphenylphosphanium) (CID 22165433) is formaldehyde;ruthenium;tris(triphenylphosphanium).
What is the SMILES notation for formaldehyde;ruthenium;tris(triphenylphosphanium)?
The canonical SMILES for formaldehyde;ruthenium;tris(triphenylphosphanium) is C=O.C=O.C=O.[Ru].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of formaldehyde;ruthenium;tris(triphenylphosphanium)?
The InChIKey is LDSBCQXZPMRNGH-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C18H15P.3CH2O.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2;/h3*1-15H;3*1H2;/p+3.
What are the key properties of formaldehyde;ruthenium;tris(triphenylphosphanium)?
formaldehyde;ruthenium;tris(triphenylphosphanium) has a molecular weight of 981.05 g/mol, XLogP of 8.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;ruthenium;tris(triphenylphosphanium) is sourced from PubChem (CID 22165433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).