chloro(oxomethylidene)iridium;phenylphosphane

C7H7ClIrOP — CID 174958226

IUPACchloro(oxomethylidene)iridium;phenylphosphane
SMILESO=C=[Ir]Cl.Pc1ccccc1
InChIInChI=1S/C6H7P.CO.ClH.Ir/c7-6-4-2-1-3-5-6;1-2;;/h1-5H,7H2;;1H;/q;;;+1/p-1
InChIKeyKMGWACIKLFLQQH-UHFFFAOYSA-M
MW365.78 g/mol
LogP1.48
Rot. Bonds

About chloro(oxomethylidene)iridium;phenylphosphane

chloro(oxomethylidene)iridium;phenylphosphane (PubChem CID 174958226) has the molecular formula C7H7ClIrOP and a molecular weight of 365.78 g/mol. Its IUPAC name is chloro(oxomethylidene)iridium;phenylphosphane.

Molecular Properties

Compound Namechloro(oxomethylidene)iridium;phenylphosphane
PubChem CID174958226
Molecular FormulaC7H7ClIrOP
Molecular Weight365.78 g/mol
Exact Mass365.96
IUPAC Namechloro(oxomethylidene)iridium;phenylphosphane
SMILESO=C=[Ir]Cl.Pc1ccccc1
InChIInChI=1S/C6H7P.CO.ClH.Ir/c7-6-4-2-1-3-5-6;1-2;;/h1-5H,7H2;;1H;/q;;;+1/p-1
InChIKeyKMGWACIKLFLQQH-UHFFFAOYSA-M
XLogP1.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro(oxomethylidene)iridium;phenylphosphane?
The IUPAC name of chloro(oxomethylidene)iridium;phenylphosphane (CID 174958226) is chloro(oxomethylidene)iridium;phenylphosphane.
What is the SMILES notation for chloro(oxomethylidene)iridium;phenylphosphane?
The canonical SMILES for chloro(oxomethylidene)iridium;phenylphosphane is O=C=[Ir]Cl.Pc1ccccc1.
What is the InChIKey of chloro(oxomethylidene)iridium;phenylphosphane?
The InChIKey is KMGWACIKLFLQQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7P.CO.ClH.Ir/c7-6-4-2-1-3-5-6;1-2;;/h1-5H,7H2;;1H;/q;;;+1/p-1.
What are the key properties of chloro(oxomethylidene)iridium;phenylphosphane?
chloro(oxomethylidene)iridium;phenylphosphane has a molecular weight of 365.78 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(oxomethylidene)iridium;phenylphosphane is sourced from PubChem (CID 174958226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).