Synonyms
Carbonyl[5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21H,23H-porphinato]ruthenium(II);92669-43-7;MFCD19443488;
IUPAC Name
carbon monoxide;ruthenium(2+);5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diide;
Molecular Weight
910.14g/mol
Molecular Formula
C57H52N4ORu;
Canonical SMILES
CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C=C4)C9=C(C=C(C=C9C)C)C)[N-]3)C.[C-]#[O+].[Ru+2];
InChI
InChI=1S/C56H52N4.CO.Ru/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10;1-2;/h13-28H,1-12H3;;/q-2;;+2;
InChI Key
DBJPDELWNWMIRK-UHFFFAOYSA-N;
Complexity
1130
Covalently-Bonded Unit Count
3
Exact Mass
910.318g/mol
H-Bond Acceptor
5
Heavy Atom Count
63
Monoisotopic Mass
910.318g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
28.8A^2
