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60489-13-6 | tetrakis(N-methyl-4-pyridinium)yl-porphine iron(III) complex
CAS No: 60489-13-6 Catalog No: AG00F4BL MDL No:
Product Description
Catalog Number:
AG00F4BL
Chemical Name:
tetrakis(N-methyl-4-pyridinium)yl-porphine iron(III) complex
CAS Number:
60489-13-6
IUPAC Name:
iron(3+);5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide
InChI:
InChI=1S/C44H36N8.Fe/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;/h5-28H,1-4H3;/q+2;+3
InChI Key:
KPPUTYQVYHFIFJ-UHFFFAOYSA-N
Properties
Complexity:
1500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
732.241g/mol
Formal Charge:
5
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
732.673g/mol
Monoisotopic Mass:
732.241g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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