CID5246206 structure

CID5246206

manganese(3+);methanol;nitroxyl anion;5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide

CAS: 7229-52-9
Molecular Formula C49H40MnN5O2
Molecular Weight 785.2562 g/mol
LogP 11.74368
Topological Polar Surface Area 113.58 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 785.2562
Monoisotopic Mass 785.2562
Heavy Atoms 57
Complexity 2388.6506

Chemical Identifiers

CAS Number 7229-52-9
SMILES CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)[N-]3.CO.[N-]=O.[Mn+3]

Product Overview

CID5246206 (CAS 7229-52-9), with molecular formula C49H40MnN5O2 and molecular weight 785.2562 g/mol. IUPAC: manganese(3+);methanol;nitroxyl anion;5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide.

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