2-butyl-5,10,15,20-tetraphenyl-porphyrin-23,24-diide; nickel(2+)

Systemtic Name: 2-butyl-5,10,15,20-tetraphenyl-porphyrin-23,24-diide; nickel(2+) Openeye Name: nickelous 2-butyl-5,10,15,20-tetraphenyl-porphyrin-23,24-diide CAS Name: 2-butyl-5,10,15,20-tetraphenylporphyrin-23,24-diide; nickel(2+) IUPAC Name: 2-butyl-5,10,15,20-tetraphenylporphyrin-23,24-diide; nickel(2+) Traditional Name: nickelous 2-butyl-5,10,15,20-tetraphenyl-porphine-23,24-diide Formula: C48H36N4Ni MolecularWeight: 727.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=CC=C6)C=C5)C7=CC=CC=C7)[N-]4)C8=CC=CC=C8)C9=CC=CC=C9.[Ni+2]

Isomeric SMILES

CCCCC1=CC2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=CC=C6)C=C5)C7=CC=CC=C7)[N-]4)C8=CC=CC=C8)C9=CC=CC=C9.[Ni+2]

InChI

InChI=1S/C48H36N4.Ni/c1-2-3-16-36-31-43-46(34-21-12-6-13-22-34)41-28-27-39(50-41)44(32-17-8-4-9-18-32)37-25-26-38(49-37)45(33-19-10-5-11-20-33)40-29-30-42(51-40)47(48(36)52-43)35-23-14-7-15-24-35;/h4-15,17-31H,2-3,16H2,1H3;/q-2;+2