carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane)

C43H30F5IrOP2- — CID 135047757

IUPACcarbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane)
SMILESFc1[c-]c(F)c(F)c(F)c1F.[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C6F5.CO.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-2-1-3(8)5(10)6(11)4(2)9;1-2;/h2*1-15H;;;/q;;-1;;
InChIKeyRILQHPLZISJDKO-UHFFFAOYSA-N
MW911.87 g/mol
LogP9.03
Rot. Bonds6

About carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane)

carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane) (PubChem CID 135047757) has the molecular formula C43H30F5IrOP2- and a molecular weight of 911.87 g/mol. Its IUPAC name is carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane).

Molecular Properties

Compound Namecarbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane)
PubChem CID135047757
Molecular FormulaC43H30F5IrOP2-
Molecular Weight911.87 g/mol
Exact Mass912.13
IUPAC Namecarbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane)
SMILESFc1[c-]c(F)c(F)c(F)c1F.[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C6F5.CO.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-2-1-3(8)5(10)6(11)4(2)9;1-2;/h2*1-15H;;;/q;;-1;;
InChIKeyRILQHPLZISJDKO-UHFFFAOYSA-N
XLogP9.03
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.87
LogP ≤ 59.03
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;iridium;bis(triphenylphosphane);hydrate
CID 10963762
carbon monoxide;iridium;bis(triphenylphosphane);iodide
CID 45279236
carbon monoxide;iridium;bis(triphenylphosphane);dibromide
CID 155883167
CID 135082204
CID 135082204
carbon monoxide;rhenium;triphenylphosphane
CID 139109889
carbon monoxide;platinum;sulfanide;bis(triphenylphosphane)
CID 10931102
carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)
CID 10931243
carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride
CID 170843767
iridium;bis(triphenylphosphane);hydrobromide
CID 173399241
stibane;triphenylphosphane;hexahydrofluoride
CID 174582566
methane;palladium;triphenylphosphane
CID 90407786
triphenylphosphane
CID 139056248

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane)?
The IUPAC name of carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane) (CID 135047757) is carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane).
What is the SMILES notation for carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane)?
The canonical SMILES for carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane) is Fc1[c-]c(F)c(F)c(F)c1F.[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane)?
The InChIKey is RILQHPLZISJDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.C6F5.CO.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-2-1-3(8)5(10)6(11)4(2)9;1-2;/h2*1-15H;;;/q;;-1;;.
What are the key properties of carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane)?
carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane) has a molecular weight of 911.87 g/mol, XLogP of 9.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane) is sourced from PubChem (CID 135047757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).