(Ir(MeCN)3(CF3PPP))(OTf)3
Basic information
- CAS
207747-27-1- Standard SMILES
CC#N.CC#N.CC#N.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.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ir+3]- InChIKey
AKECMOPXYKFCNF-UHFFFAOYSA-K- Molecular formula
- C56H42F27IrN3O9P3S3
- Average molar mass
- 1,795.2 g/mol
- Monoisotopic mass
- 1,795.04941
Names & identifiers
- Preferred name
- (Ir(MeCN)3(CF3PPP))(OTf)3
- IUPAC
- tris(acetonitrile);[3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methylpropyl]-bis[3-(trifluoromethyl)phenyl]phosphane;iridium(3+);tris(trifluoromethanesulfonate)
Names & synonyms
(Ir(MeCN)3(CF3PPP))(OTf)3207747-27-1[Ir(MeCN)3(CF3PPP)](OTf)3Iridium(3+), tris(acetonitrile)((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphine-kappaP))-, (OC-6-22)-, salt with trifluoromethanesulfonic acid (1:3)acetonitrile; [3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methyl-propyl]-bis[3-(trifluoromethyl)phenyl]phosphane; iridium(3+); trifluoromethanesulfonic acidDTXSID60174852Iridium(3+), tris(acetonitrile)[[2-[[bis[3-(trifluoromethyl)phenyl]phosphino-.kappa.P]methyl]-2-methyl-1,3-propanediyl]bis[bis[3- (trifluoromethyl)phenyl]phosphine-.kappa.P]]-, (OC-6-22)-, salt with trifluoromethanesulfonic acid (1:3)
Database identifiers
- CAS
207747-27-1- PubChem CID
- 492268
- DTXSID
DTXSID60174852
Properties
Computed structural properties
- Topological polar surface area
- 268 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 39
- Rotatable bonds
- 12
- Heavy atoms
- 102
- Formal charge
- 0
- Complexity
- 1,470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…