2-deuterio-3-phenoxy-5,10,15,20-tetraphenyl-porphyrin-21,24-diide; nickel(2+)

Systemtic Name: 2-deuterio-3-phenoxy-5,10,15,20-tetraphenyl-porphyrin-21,24-diide; nickel(2+) Openeye Name: nickelous 2-deuterio-3-phenoxy-5,10,15,20-tetraphenyl-porphyrin-21,24-diide CAS Name: 2-deuterio-3-phenoxy-5,10,15,20-tetraphenylporphyrin-21,24-diide; nickel(2+) IUPAC Name: 2-deuterio-3-phenoxy-5,10,15,20-tetraphenylporphyrin-21,24-diide; nickel(2+) Traditional Name: nickelous 2-deuterio-3-phenoxy-5,10,15,20-tetraphenyl-porphine-21,24-diide Formula: C50H32N4NiO MolecularWeight: 764.514842

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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)C8=CC=CC=C8)OC9=CC=CC=C9)C1=CC=CC=C1)[N-]3.[Ni+2]

Isomeric SMILES

[2H]C1=C2C(=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C(=C1OC6=CC=CC=C6)[N-]2)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3)C1=CC=CC=C1.[Ni+2]

InChI

InChI=1S/C50H32N4O.Ni/c1-6-16-33(17-7-1)46-38-26-27-39(51-38)47(34-18-8-2-9-19-34)41-30-31-43(53-41)49(36-22-12-4-13-23-36)50-45(55-37-24-14-5-15-25-37)32-44(54-50)48(35-20-10-3-11-21-35)42-29-28-40(46)52-42;/h1-32H;/q-2;+2/i32D;