Synonyms
136274-57-2;(R,R'')-2,2''-Bis(diphenylphosphino)-1,1''-biferrocene;B3196;
IUPAC Name
cyclopenta-1,3-diene;[2-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane;iron(2+);
Molecular Weight
738.41g/mol
Molecular Formula
C44H36Fe2P2;
Canonical SMILES
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC(=C1C2=C(C=C[CH-]2)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6.[Fe+2].[Fe+2];
InChI
InChI=1S/C34H26P2.2C5H5.2Fe/c1-5-15-27(16-6-1)35(28-17-7-2-8-18-28)33-25-13-23-31(33)32-24-14-26-34(32)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30;2*1-2-4-5-3-1;;/h1-26H;2*1-5H;;/q-2;2*-1;2*+2;
InChI Key
VADPYXYBFVOWCG-UHFFFAOYSA-N;
Complexity
688
Covalently-Bonded Unit Count
5
Exact Mass
738.099g/mol
H-Bond Acceptor
4
Heavy Atom Count
48
Monoisotopic Mass
738.099g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
0A^2
