carbon monoxide;iridium;bis(triphenylphosphane);hydrate

C37H32IrO2P2 — CID 10963762

IUPACcarbon monoxide;iridium;bis(triphenylphosphane);hydrate
SMILESO.[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.CO.Ir.H2O/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;;;1H2
InChIKeyBFXRBXKJNHPIPJ-UHFFFAOYSA-N
MW762.83 g/mol
LogP6.02
Rot. Bonds6

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

carbon monoxide;iridium;bis(triphenylphosphane);hydrate (PubChem CID 10963762) has the molecular formula C37H32IrO2P2 and a molecular weight of 762.83 g/mol. Its IUPAC name is carbon monoxide;iridium;bis(triphenylphosphane);hydrate.

Molecular Properties

Compound Namecarbon monoxide;iridium;bis(triphenylphosphane);hydrate
PubChem CID10963762
Molecular FormulaC37H32IrO2P2
Molecular Weight762.83 g/mol
Exact Mass763.15
IUPAC Namecarbon monoxide;iridium;bis(triphenylphosphane);hydrate
SMILESO.[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.CO.Ir.H2O/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;;;1H2
InChIKeyBFXRBXKJNHPIPJ-UHFFFAOYSA-N
XLogP6.02
TPSA51.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.83
LogP ≤ 56.02
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;iridium;bis(triphenylphosphane);iodide
CID 45279236
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
iridium;bis(triphenylphosphane);hydrobromide
CID 173399241
stibane;triphenylphosphane;hexahydrofluoride
CID 174582566
triphenylphosphane
CID 139056248
carbon monoxide;dichlororhodium;bis(triphenylphosphane)
CID 11136420
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
CID 11297766
CID 11297766

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iridium;bis(triphenylphosphane);hydrate?
The IUPAC name of carbon monoxide;iridium;bis(triphenylphosphane);hydrate (CID 10963762) is carbon monoxide;iridium;bis(triphenylphosphane);hydrate.
What is the SMILES notation for carbon monoxide;iridium;bis(triphenylphosphane);hydrate?
The canonical SMILES for carbon monoxide;iridium;bis(triphenylphosphane);hydrate is O.[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;iridium;bis(triphenylphosphane);hydrate?
The InChIKey is BFXRBXKJNHPIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.CO.Ir.H2O/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;;;1H2.
What are the key properties of carbon monoxide;iridium;bis(triphenylphosphane);hydrate?
carbon monoxide;iridium;bis(triphenylphosphane);hydrate has a molecular weight of 762.83 g/mol, XLogP of 6.02, 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);hydrate is sourced from PubChem (CID 10963762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).