iron; tetraphenylboranuide; tris(2-diphenylphosphanylethyl)phosphane

Systemtic Name: iron; tetraphenylboranuide; tris(2-diphenylphosphanylethyl)phosphane Openeye Name: iron; tetraphenylboranuide; tris(2-diphenylphosphanylethyl)phosphane CAS Name: iron; tetraphenylboranuide; tris(2-diphenylphosphinoethyl)phosphine IUPAC Name: iron; tetraphenylboranuide; tris(2-diphenylphosphanylethyl)phosphane Traditional Name: iron; tetraphenylboranuide; tris(2-diphenylphosphinoethyl)phosphine Formula: C66H62BFeP4- MolecularWeight: 1045.749524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Fe]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Fe]

InChI

InChI=1S/C42H42P4.C24H20B.Fe/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)34-31-43(32-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42;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;/h1-30H,31-36H2;1-20H;/q;-1;