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

Systemtic Name: 4-bromanyl-N-[(5,10,15,20-tetraphenylporphyrin-23,24-diid-2-yl)methyl]aniline; nickel(2+) Openeye Name: nickelous 4-bromo-N-[(5,10,15,20-tetraphenylporphyrin-23,24-diid-2-yl)methyl]aniline CAS Name: 4-bromo-N-[(5,10,15,20-tetraphenyl-2-porphyrin-23,24-diidyl)methyl]aniline; nickel(2+) IUPAC Name: 4-bromo-N-[(5,10,15,20-tetraphenylporphyrin-23,24-diid-2-yl)methyl]aniline; nickel(2+) Traditional Name: nickelous (4-bromophenyl)-[(5,10,15,20-tetraphenylporphine-23,24-diid-2-yl)methyl]amine Formula: C51H34BrN5Ni MolecularWeight: 855.44656

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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=C(C=C8)Br)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=C(C=C8)Br)C9=CC=CC=C9)C1=CC=CC=C1)[N-]3.[Ni+2]

InChI

InChI=1S/C51H34BrN5.Ni/c52-38-21-23-39(24-22-38)53-32-37-31-46-49(35-17-9-3-10-18-35)44-28-27-42(55-44)47(33-13-5-1-6-14-33)40-25-26-41(54-40)48(34-15-7-2-8-16-34)43-29-30-45(56-43)50(51(37)57-46)36-19-11-4-12-20-36;/h1-31,53H,32H2;/q-2;+2