Synonyms
Bis(triphenylphosphoranylidene)ammonium trifluoroacetate
IUPAC Name
2,2,2-trifluoroacetate;triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium
Molecular Weight
782.65
Molecular Formula
C38H30O2F3NP2
Canonical SMILES
C1=CC=C(C=C1)P(=N[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.C(=O)(C(F)(F)F)[O-];
InChI
NDLHFNFVQBXEPE-UHFFFAOYSA-M
InChI Key
InChI=1S/C36H30NP2.C2HF3O2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;3-2(4,5)1(6)7/h1-30H;(H,6,7)/q+1;/p-1
Purity
98%
Appearance
Solid
Complexity
685
Covalently-Bonded Unit Count
2
Exact Mass
651.17g/mol
H-Bond Acceptor
6
Heavy Atom Count
46
Isomeric SMILES
C1=CC=C(C=C1)P(=N[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.C(=O)(C(F)(F)F)[O-]
Monoisotopic Mass
651.17g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
52.5A^2
