carbon monoxide;iridium;bis(triphenylphosphane);dibromide

C37H30Br2IrOP2-2 — CID 155883167

IUPACcarbon monoxide;iridium;bis(triphenylphosphane);dibromide
SMILES[Br-].[Br-].[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.CO.2BrH.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;;2*1H;/p-2
InChIKeyXLLVPHFRXMQYRR-UHFFFAOYSA-L
MW904.62 g/mol
LogP0.86
Rot. Bonds6

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

carbon monoxide;iridium;bis(triphenylphosphane);dibromide (PubChem CID 155883167) has the molecular formula C37H30Br2IrOP2-2 and a molecular weight of 904.62 g/mol. Its IUPAC name is carbon monoxide;iridium;bis(triphenylphosphane);dibromide.

Molecular Properties

Compound Namecarbon monoxide;iridium;bis(triphenylphosphane);dibromide
PubChem CID155883167
Molecular FormulaC37H30Br2IrOP2-2
Molecular Weight904.62 g/mol
Exact Mass902.98
IUPAC Namecarbon monoxide;iridium;bis(triphenylphosphane);dibromide
SMILES[Br-].[Br-].[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.CO.2BrH.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;;2*1H;/p-2
InChIKeyXLLVPHFRXMQYRR-UHFFFAOYSA-L
XLogP0.86
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500904.62
LogP ≤ 50.86
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

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CID 10963762
carbon monoxide;iridium;bis(triphenylphosphane);iodide
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carbon monoxide;rhenium;triphenylphosphane
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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
copper(1+);triphenylphosphane;bromide
CID 87491658
iridium;bis(triphenylphosphane);hydrobromide
CID 173399241
stibane;triphenylphosphane;hexahydrofluoride
CID 174582566
triphenylphosphane
CID 139056248
carbon monoxide;dichlororhodium;bis(triphenylphosphane)
CID 11136420
CID 11297766
CID 11297766

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iridium;bis(triphenylphosphane);dibromide?
The IUPAC name of carbon monoxide;iridium;bis(triphenylphosphane);dibromide (CID 155883167) is carbon monoxide;iridium;bis(triphenylphosphane);dibromide.
What is the SMILES notation for carbon monoxide;iridium;bis(triphenylphosphane);dibromide?
The canonical SMILES for carbon monoxide;iridium;bis(triphenylphosphane);dibromide is [Br-].[Br-].[C-]#[O+].[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;iridium;bis(triphenylphosphane);dibromide?
The InChIKey is XLLVPHFRXMQYRR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.CO.2BrH.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;;2*1H;/p-2.
What are the key properties of carbon monoxide;iridium;bis(triphenylphosphane);dibromide?
carbon monoxide;iridium;bis(triphenylphosphane);dibromide has a molecular weight of 904.62 g/mol, XLogP of 0.86, 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);dibromide is sourced from PubChem (CID 155883167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).