carbon monoxide;iridium;bis(triphenylphosphane);iodide

C37H30IIrOP2- — CID 45279236

IUPACcarbon monoxide;iridium;bis(triphenylphosphane);iodide
SMILES[C-]#[O+].[I-].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.CO.HI.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/p-1
InChIKeyJFJMJPDWCZCVJZ-UHFFFAOYSA-M
MW871.72 g/mol
LogP3.85
Rot. Bonds6

About carbon monoxide;iridium;bis(triphenylphosphane);iodide

carbon monoxide;iridium;bis(triphenylphosphane);iodide (PubChem CID 45279236) has the molecular formula C37H30IIrOP2- and a molecular weight of 871.72 g/mol. Its IUPAC name is carbon monoxide;iridium;bis(triphenylphosphane);iodide.

Molecular Properties

Compound Namecarbon monoxide;iridium;bis(triphenylphosphane);iodide
PubChem CID45279236
Molecular FormulaC37H30IIrOP2-
Molecular Weight871.72 g/mol
Exact Mass872.05
IUPAC Namecarbon monoxide;iridium;bis(triphenylphosphane);iodide
SMILES[C-]#[O+].[I-].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.CO.HI.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/p-1
InChIKeyJFJMJPDWCZCVJZ-UHFFFAOYSA-M
XLogP3.85
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500871.72
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 10963762
carbon monoxide;iridium;bis(triphenylphosphane);dibromide
CID 155883167
carbon monoxide;rhenium;triphenylphosphane
CID 139109889
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
silver;tris(triphenylphosphane);iodide
CID 170458282
iridium;bis(triphenylphosphane);hydrobromide
CID 173399241
nickel(2+);tris(triphenylphosphane);diiodide
CID 173453506
stibane;triphenylphosphane;hexahydrofluoride
CID 174582566
copper;triphenylphosphane;diiodide
CID 175718696
triphenylphosphane
CID 139056248

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iridium;bis(triphenylphosphane);iodide?
The IUPAC name of carbon monoxide;iridium;bis(triphenylphosphane);iodide (CID 45279236) is carbon monoxide;iridium;bis(triphenylphosphane);iodide.
What is the SMILES notation for carbon monoxide;iridium;bis(triphenylphosphane);iodide?
The canonical SMILES for carbon monoxide;iridium;bis(triphenylphosphane);iodide is [C-]#[O+].[I-].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;iridium;bis(triphenylphosphane);iodide?
The InChIKey is JFJMJPDWCZCVJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H15P.CO.HI.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/p-1.
What are the key properties of carbon monoxide;iridium;bis(triphenylphosphane);iodide?
carbon monoxide;iridium;bis(triphenylphosphane);iodide has a molecular weight of 871.72 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;iridium;bis(triphenylphosphane);iodide is sourced from PubChem (CID 45279236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).