carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)

C55H46OP3Pt2S- — CID 10931243

IUPACcarbon monoxide;platinum;sulfanide;tris(triphenylphosphane)
SMILES[C-]#[O+].[Pt].[Pt].[SH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.CO.2Pt.H2S/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;;;;1H2/p-1
InChIKeySXRYFOVBTYFFLT-UHFFFAOYSA-M
MW1238.12 g/mol
LogP10.02
Rot. Bonds9

About carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)

carbon monoxide;platinum;sulfanide;tris(triphenylphosphane) (PubChem CID 10931243) has the molecular formula C55H46OP3Pt2S- and a molecular weight of 1238.12 g/mol. Its IUPAC name is carbon monoxide;platinum;sulfanide;tris(triphenylphosphane).

Molecular Properties

Compound Namecarbon monoxide;platinum;sulfanide;tris(triphenylphosphane)
PubChem CID10931243
Molecular FormulaC55H46OP3Pt2S-
Molecular Weight1238.12 g/mol
Exact Mass1237.18
IUPAC Namecarbon monoxide;platinum;sulfanide;tris(triphenylphosphane)
SMILES[C-]#[O+].[Pt].[Pt].[SH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.CO.2Pt.H2S/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;;;;1H2/p-1
InChIKeySXRYFOVBTYFFLT-UHFFFAOYSA-M
XLogP10.02
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001238.12
LogP ≤ 510.02
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;bis(triphenylphosphane)
CID 10931102
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
carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride
CID 170843767
platinum;triphenylphosphane
CID 159264630
stibane;triphenylphosphane;hexahydrofluoride
CID 174582566
triphenylphosphane
CID 139056248
carbon monoxide;dichlororhodium;bis(triphenylphosphane)
CID 11136420
CID 134882622
CID 134882622
ethene;platinum;triphenylphosphane
CID 11071312

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)?
The IUPAC name of carbon monoxide;platinum;sulfanide;tris(triphenylphosphane) (CID 10931243) is carbon monoxide;platinum;sulfanide;tris(triphenylphosphane).
What is the SMILES notation for carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)?
The canonical SMILES for carbon monoxide;platinum;sulfanide;tris(triphenylphosphane) is [C-]#[O+].[Pt].[Pt].[SH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)?
The InChIKey is SXRYFOVBTYFFLT-UHFFFAOYSA-M. The full InChI is InChI=1S/3C18H15P.CO.2Pt.H2S/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;;;;1H2/p-1.
What are the key properties of carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)?
carbon monoxide;platinum;sulfanide;tris(triphenylphosphane) has a molecular weight of 1238.12 g/mol, XLogP of 10.02, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;platinum;sulfanide;tris(triphenylphosphane) is sourced from PubChem (CID 10931243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).