Iridium(3+), tris(acetonitrile)((2-((diphenylphosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(diphenylphosphine-kappaP))-, (OC-6-22)-, salt with trifluoromethanesulfonic acid (1:3)
Basic information
- CAS
207747-31-7- Standard SMILES
CC#N.CC#N.CC#N.CC(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.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
AJECJHNZUNBYRW-UHFFFAOYSA-K- Molecular formula
- C50H48F9IrN3O9P3S3
- Average molar mass
- 1,387.3 g/mol
- Monoisotopic mass
- 1,387.12511
Names & identifiers
- Preferred name
- Iridium(3+), tris(acetonitrile)((2-((diphenylphosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(diphenylphosphine-kappaP))-, (OC-6-22)-, salt with trifluoromethanesulfonic acid (1:3)
- IUPAC
- tris(acetonitrile);[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;iridium(3+);tris(trifluoromethanesulfonate)
Names & synonyms
(Ir(MeCN)3(PPP))(OTf)3207747-31-7Iridium(3+), tris(acetonitrile)((2-((diphenylphosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(diphenylphosphine-kappaP))-, (OC-6-22)-, salt with trifluoromethanesulfonic acid (1:3)[Ir(MeCN)3(PPP)](OTf)3acetonitrile; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; iridium(3+); trifluoromethanesulfonic acidDTXSID20174853Iridium(3+), tris(acetonitrile)[[2-[(diphenylphosphino-.kappa.P)methyl]-2-methyl-1,3-propanediyl]bis[diphenylphosphine-.kappa.P]]-, (OC-6-22)-, salt with trifluoromethanesulfonic acid (1:3)
Database identifiers
- CAS
207747-31-7- PubChem CID
- 492271
- DTXSID
DTXSID20174853
Properties
Computed structural properties
- Topological polar surface area
- 268 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 12
- Heavy atoms
- 78
- Formal charge
- 0
- Complexity
- 793
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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