Synonyms
MFCD29472552;1471276-06-8;
IUPAC Name
carbon monoxide;iron(3+);4-methyl-2-(4-methylpyridin-2-yl)pyridine;2-(4-methylpyridin-2-yl)-4-[2-[2-(4-methylpyridin-2-yl)pyridin-4-yl]ethyl]pyridine;ruthenium;tris(4-fluorophenyl)phosphane;trihexafluorophosphate;
Molecular Weight
2015.305g/mol
Molecular Formula
C86H70F24FeN8O2P5Ru;
Canonical SMILES
CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)CCC3=CC(=NC=C3)C4=NC=CC(=C4)C.[C-]#[O+].[C-]#[O+].C1=CC(=CC=C1F)P(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C1=CC(=CC=C1F)P(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+3].[Ru];
InChI
InChI=1S/C24H22N4.2C18H12F3P.2C12H12N2.2CO.3F6P.Fe.Ru/c1-17-5-9-25-21(13-17)23-15-19(7-11-27-23)3-4-20-8-12-28-24(16-20)22-14-18(2)6-10-26-22;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-2;3*1-7(2,3,4,5)6;;/h5-16H,3-4H2,1-2H3;2*1-12H;2*3-8H,1-2H3;;;;;;;/q;;;;;;;3*-1;+3;;
InChI Key
HCMTWCVJZHGHGS-UHFFFAOYSA-N;
Complexity
936
Covalently-Bonded Unit Count
12
Exact Mass
2015.232g/mol
H-Bond Acceptor
37
Heavy Atom Count
127
Monoisotopic Mass
2015.232g/mol
Rotatable Bond Count
13
Topological Polar Surface Area
105A^2
