CID5249671 structure

CID5249671

molybdenum(2+);2-phenylethynylbenzene;5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide

CAS: 7233-82-1
Molecular Formula C62H46MoN4
Molecular Weight 944.27765 g/mol
LogP 14.89938
Topological Polar Surface Area 53.98 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 4
Exact Mass 944.27765
Monoisotopic Mass 944.27765
Heavy Atoms 67
Complexity 3095.916

Chemical Identifiers

CAS Number 7233-82-1
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.C1=CC=C(C=C1)C#CC2=CC=CC=C2.[Mo+2]

Product Overview

CID5249671 (CAS 7233-82-1), with molecular formula C62H46MoN4 and molecular weight 944.27765 g/mol. IUPAC: molybdenum(2+);2-phenylethynylbenzene;5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide.

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