Synonyms
95408-38-1;DTXSID00746613;Ferrocene, 1-[bis(1,1-dimethylethyl)phosphino]-1'-(diphenylphosphino)-;1-Diphenylphosphino-1 inverted exclamation marka-(di-tert-butylphosphino)ferrocene;Iron(2+) 1-(di-tert-butylphosphanyl)cyclopenta-2,4-dien-1-ide 1-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide (1/1/1);
IUPAC Name
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+);
Molecular Weight
514.411g/mol
Molecular Formula
C30H36FeP2;
Canonical SMILES
CC(C)(C)P(C1=C[CH-]C=C1)C(C)(C)C.[CH-]1C=CC(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe+2];
InChI
InChI=1S/C17H14P.C13H22P.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h1-14H;7-10H,1-6H3;/q2*-1;+2;
InChI Key
KVXWCDXJSYVISP-UHFFFAOYSA-N;
Complexity
376
Covalently-Bonded Unit Count
3
Exact Mass
514.164g/mol
H-Bond Acceptor
2
Heavy Atom Count
33
Monoisotopic Mass
514.164g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
0A^2
