N-cyclohexyl-10,20-diphenyl-porphyrin-21,22-diid-5-amine; nickel(2+)

Systemtic Name: N-cyclohexyl-10,20-diphenyl-porphyrin-21,22-diid-5-amine; nickel(2+) Openeye Name: nickelous N-cyclohexyl-10,20-diphenyl-porphyrin-21,22-diid-5-amine CAS Name: N-cyclohexyl-10,20-diphenyl-5-porphyrin-21,22-diidamine; nickel(2+) IUPAC Name: N-cyclohexyl-10,20-diphenylporphyrin-21,22-diid-5-amine; nickel(2+) Traditional Name: nickelous cyclohexyl-(10,20-diphenylporphine-21,22-diid-5-yl)amine Formula: C38H31N5Ni MolecularWeight: 616.37964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

Isomeric SMILES

C1CCC(CC1)NC2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

InChI

InChI=1S/C38H31N5.Ni/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(43-33)38(34-22-20-32(36)42-34)41-27-14-8-3-9-15-27;/h1-2,4-7,10-13,16-24,27,41H,3,8-9,14-15H2;/q-2;+2