Synonyms
894777-14-1;DTXSID30746247;1 inverted exclamation marka-(Aminocarbonyl)-1,2,3,4,5-pentaphenyl-ferrocene;1 inverted exclamation marka,2 inverted exclamation marka,3 inverted exclamation marka4 inverted exclamation marka,5 inverted exclamation marka-Pentaphenylferrocene carboxamide;Iron(2+) amino(cyclopenta-2,4-dien-1-ylidene)methanolate 1,2,3,4,5-pentaphenylcyclopenta-2,4-dien-1-ide (1/1/1);
IUPAC Name
amino(cyclopenta-2,4-dien-1-ylidene)methanolate;iron(2+);(2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene;
Molecular Weight
609.55g/mol
Molecular Formula
C41H31FeNO;
Canonical SMILES
C1=CC=C(C=C1)[C-]2C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.C1=CC(=C(N)[O-])C=C1.[Fe+2];
InChI
InChI=1S/C35H25.C6H7NO.Fe/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;7-6(8)5-3-1-2-4-5;/h1-25H;1-4,8H,7H2;/q-1;;+2/p-1;
InChI Key
ATKYZALEJMNIHI-UHFFFAOYSA-M;
Storage
2-8°C
Complexity
631
Covalently-Bonded Unit Count
3
Exact Mass
609.176g/mol
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
44
Monoisotopic Mass
609.176g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
49.1A^2
