Iridium, ((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)pho sphine-kappaP))carbonylchloro-, (TB-5-12)-

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Basic information

CAS: 207747-19-1
Standard SMILES: CC(CP(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)(CP(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)CP(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.[C-]#[O+].[Cl-].[Ir]
InChIKey: GRHCYEIIOXSQIY-UHFFFAOYSA-M
Molecular formula: C48H33ClF18IrOP3-
Average molar mass: 1,288.3 g/mol
Monoisotopic mass: 1,288.07746

Names & identifiers

Preferred name: Iridium, ((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)pho sphine-kappaP))carbonylchloro-, (TB-5-12)-
IUPAC: [3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methylpropyl]-bis[3-(trifluoromethyl)phenyl]phosphane;carbon monoxide;iridium;chloride

Names & synonyms

207747-19-1Iridium, ((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)pho sphine-kappaP))carbonylchloro-, (TB-5-12)-[3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methyl-propyl]-bis[3-(trifluoromethyl)phenyl]phosphane; carbon monoxide; iridium(1+)Iridium, [[2-[[bis[3-(trifluoromethyl)phenyl]phosphino-.kappa.P]methyl]-2-methyl-1,3-propanediyl]bis[bis[3-(trifluoromethyl)phenyl]pho sphine-.kappa.P]]carbonylchloro-, (TB-5-12)-

Database identifiers

CAS: 207747-19-1
PubChem CID: 492263

Properties

Computed structural properties

Topological polar surface area: 1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 20
Rotatable bonds: 12
Heavy atoms: 72
Formal charge: -1
Complexity: 1,300

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Compound notes

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