iron(6+); tetraphenylphosphanium; hexacyanide

Systemtic Name: iron(6+); tetraphenylphosphanium; hexacyanide Openeye Name: iron(6+); tetraphenylphosphonium; hexacyanide CAS Name: iron(6+); tetraphenylphosphonium; hexacyanide IUPAC Name: iron(6+); tetraphenylphosphanium; hexacyanide Traditional Name: iron(6+); tetraphenylphosphonium; hexacyanide Formula: C78H60FeN6P3+3 MolecularWeight: 1230.117483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Fe+6]

Isomeric SMILES

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Fe+6]

InChI

InChI=1S/3C24H20P.6CN.Fe/c3*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;6*1-2;/h3*1-20H;;;;;;;/q3*+1;6*-1;+6