CID 134882622

C24H21OPRuS — CID 134882622

IUPAC—
SMILES[C-]#[O+].[CH]1C=CC=C1.[Ru+].[SH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5.CO.Ru.H2S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-2;;/h1-15H;1-5H;;;1H2/q;;;+1;/p-1
InChIKeyGJXHIUJWKBTOAD-UHFFFAOYSA-M
MW489.54 g/mol
LogP4.45
Rot. Bonds3

About CID 134882622

CID 134882622 (PubChem CID 134882622) has the molecular formula C24H21OPRuS and a molecular weight of 489.54 g/mol.

Molecular Properties

Compound NameCID 134882622
PubChem CID134882622
Molecular FormulaC24H21OPRuS
Molecular Weight489.54 g/mol
Exact Mass490.01
IUPAC Name—
SMILES[C-]#[O+].[CH]1C=CC=C1.[Ru+].[SH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5.CO.Ru.H2S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-2;;/h1-15H;1-5H;;;1H2/q;;;+1;/p-1
InChIKeyGJXHIUJWKBTOAD-UHFFFAOYSA-M
XLogP4.45
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)
CID 10931243
carbon monoxide;platinum;sulfanide;bis(triphenylphosphane)
CID 10931102
carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride
CID 170843767
CID 85363451
CID 85363451
carbon monoxide;rhenium;triphenylphosphane
CID 139109889
carbon monoxide;iridium;bis(triphenylphosphane);hydrate
CID 10963762
carbon monoxide;iridium;bis(triphenylphosphane);iodide
CID 45279236
carbon monoxide;iridium;bis(triphenylphosphane);dibromide
CID 155883167
stibane;triphenylphosphane;hexahydrofluoride
CID 174582566
nickel(2+);tris(triphenylphosphane);diiodide
CID 173453506
triphenylphosphane
CID 139056248
carbon monoxide;dichlororhodium;bis(triphenylphosphane)
CID 11136420

Frequently Asked Questions

What is the IUPAC name of CID 134882622?
The IUPAC name of CID 134882622 (CID 134882622) is not available.
What is the SMILES notation for CID 134882622?
The canonical SMILES for CID 134882622 is [C-]#[O+].[CH]1C=CC=C1.[Ru+].[SH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 134882622?
The InChIKey is GJXHIUJWKBTOAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.C5H5.CO.Ru.H2S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-2;;/h1-15H;1-5H;;;1H2/q;;;+1;/p-1.
What are the key properties of CID 134882622?
CID 134882622 has a molecular weight of 489.54 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134882622 is sourced from PubChem (CID 134882622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).