Iridium(1+), ((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphinekappaP))dicarbonyl-, (TB-5-12)-, salt with trifluoromethanesulfonic acid (1:1)

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Basic information

CAS: 207747-21-5
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.O=S(=O)([O-])C(F)(F)F.[C-]#[O+].[C-]#[O+].[Ir]
InChIKey: JQBPWLRBIIABDR-UHFFFAOYSA-M
Molecular formula: C50H33F21IrO5P3S-
Average molar mass: 1,430 g/mol
Monoisotopic mass: 1,430.05555

Names & identifiers

Preferred name: Iridium(1+), ((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphinekappaP))dicarbonyl-, (TB-5-12)-, salt with trifluoromethanesulfonic acid (1:1)
IUPAC: [3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methylpropyl]-bis[3-(trifluoromethyl)phenyl]phosphane;carbon monoxide;iridium;trifluoromethanesulfonate

Names & synonyms

207747-21-5Iridium(1+), ((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphinekappaP))dicarbonyl-, (TB-5-12)-, salt with trifluoromethanesulfonic acid (1:1)SCHEMBL29467687[3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methyl-propyl]-bis[3-(trifluoromethyl)phenyl]phosphane; carbon monoxide; iridium(1+); trifluoromethanesulfonic acidIridium(1+), [[2-[[bis[3-(trifluoromethyl)phenyl]phosphino-.kappa.P]methyl]-2-methyl-1,3-propanediyl]bis[bis[3-(trifluoromethyl)phenyl]phosphine.kappa.P]]dicarbonyl-, (TB-5-12)-, salt with trifluoromethanesulfonic acid (1:1)

Database identifiers

CAS: 207747-21-5
PubChem CID: 492264

Properties

Computed structural properties

Topological polar surface area: 67.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 26
Rotatable bonds: 12
Heavy atoms: 81
Formal charge: -1
Complexity: 1,450

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Compound notes

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