3-(15-bromanyl-10,20-diphenyl-porphyrin-23,24-diid-5-yl)oxyaniline; nickel(2+)

Systemtic Name: 3-(15-bromanyl-10,20-diphenyl-porphyrin-23,24-diid-5-yl)oxyaniline; nickel(2+) Openeye Name: nickelous 3-(15-bromo-10,20-diphenyl-porphyrin-23,24-diid-5-yl)oxyaniline CAS Name: 3-[(15-bromo-10,20-diphenyl-5-porphyrin-23,24-diidyl)oxy]aniline; nickel(2+) IUPAC Name: 3-(15-bromo-10,20-diphenylporphyrin-23,24-diid-5-yl)oxyaniline; nickel(2+) Traditional Name: nickelous [3-(15-bromo-10,20-diphenyl-porphine-23,24-diid-5-yl)oxyphenyl]amine Formula: C38H24BrN5NiO MolecularWeight: 705.22746

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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)OC7=CC=CC(=C7)N)C8=CC=CC=C8)Br)[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)OC7=CC=CC(=C7)N)C8=CC=CC=C8)Br)[N-]3.[Ni+2]

InChI

InChI=1S/C38H24BrN5O.Ni/c39-37-31-18-14-27(41-31)35(23-8-3-1-4-9-23)29-16-20-33(43-29)38(45-26-13-7-12-25(40)22-26)34-21-17-30(44-34)36(24-10-5-2-6-11-24)28-15-19-32(37)42-28;/h1-22H,40H2;/q-2;+2