nickel(2+); N-[(5,10,15,20-tetraphenylporphyrin-23,24-diid-2-yl)methyl]aniline

Systemtic Name: nickel(2+); N-[(5,10,15,20-tetraphenylporphyrin-23,24-diid-2-yl)methyl]aniline Openeye Name: nickelous N-[(5,10,15,20-tetraphenylporphyrin-23,24-diid-2-yl)methyl]aniline CAS Name: nickel(2+); N-[(5,10,15,20-tetraphenyl-2-porphyrin-23,24-diidyl)methyl]aniline IUPAC Name: nickel(2+); N-[(5,10,15,20-tetraphenylporphyrin-23,24-diid-2-yl)methyl]aniline Traditional Name: nickelous phenyl-[(5,10,15,20-tetraphenylporphine-23,24-diid-2-yl)methyl]amine Formula: C51H35N5Ni MolecularWeight: 776.5505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)CNC8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)CNC8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)[N-]3.[Ni+2]

InChI

InChI=1S/C51H35N5.Ni/c1-6-16-34(17-7-1)47-40-26-27-41(53-40)48(35-18-8-2-9-19-35)43-30-31-45(55-43)50(37-22-12-4-13-23-37)51-38(33-52-39-24-14-5-15-25-39)32-46(56-51)49(36-20-10-3-11-21-36)44-29-28-42(47)54-44;/h1-32,52H,33H2;/q-2;+2