4-(15-butyl-10,20-diphenyl-porphyrin-22,24-diid-5-yl)butyl-triethyl-azanium; nickel(2+); iodide

Systemtic Name: 4-(15-butyl-10,20-diphenyl-porphyrin-22,24-diid-5-yl)butyl-triethyl-azanium; nickel(2+); iodide Openeye Name: nickelous 4-(15-butyl-10,20-diphenyl-porphyrin-22,24-diid-5-yl)butyl-triethyl-ammonium iodide CAS Name: 4-(15-butyl-10,20-diphenyl-5-porphyrin-22,24-diidyl)butyl-triethylammonium; nickel(2+); iodide IUPAC Name: 4-(15-butyl-10,20-diphenylporphyrin-22,24-diid-5-yl)butyl-triethylazanium; nickel(2+); iodide Traditional Name: nickelous 4-(15-butyl-10,20-diphenyl-porphine-22,24-diid-5-yl)butyl-triethyl-ammonium iodide Formula: C46H50IN5Ni MolecularWeight: 858.52057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)CCCC[N+](CC)(CC)CC)C=C3)C7=CC=CC=C7)[N-]2.[Ni+2].[I-]

Isomeric SMILES

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)CCCC[N+](CC)(CC)CC)C=C3)C7=CC=CC=C7)[N-]2.[Ni+2].[I-]

InChI

InChI=1S/C46H50N5.HI.Ni/c1-5-9-22-35-37-24-28-41(47-37)45(33-18-12-10-13-19-33)43-30-26-39(49-43)36(23-16-17-32-51(6-2,7-3)8-4)40-27-31-44(50-40)46(34-20-14-11-15-21-34)42-29-25-38(35)48-42;;/h10-15,18-21,24-31H,5-9,16-17,22-23,32H2,1-4H3;1H;/q-1;;+2/p-1