15-bromanyl-N-butyl-10,20-diphenyl-porphyrin-23,24-diid-5-amine; nickel(2+)

Systemtic Name: 15-bromanyl-N-butyl-10,20-diphenyl-porphyrin-23,24-diid-5-amine; nickel(2+) Openeye Name: nickelous 15-bromo-N-butyl-10,20-diphenyl-porphyrin-23,24-diid-5-amine CAS Name: 15-bromo-N-butyl-10,20-diphenyl-5-porphyrin-23,24-diidamine; nickel(2+) IUPAC Name: 15-bromo-N-butyl-10,20-diphenylporphyrin-23,24-diid-5-amine; nickel(2+) Traditional Name: nickelous (15-bromo-10,20-diphenyl-porphine-23,24-diid-5-yl)-butyl-amine Formula: C36H28BrN5Ni MolecularWeight: 669.23842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)Br)[N-]3)C7=CC=CC=C7.[Ni+2]

Isomeric SMILES

CCCCNC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)Br)[N-]3)C7=CC=CC=C7.[Ni+2]

InChI

InChI=1S/C36H28BrN5.Ni/c1-2-3-22-38-36-31-20-16-27(41-31)33(23-10-6-4-7-11-23)25-14-18-29(39-25)35(37)30-19-15-26(40-30)34(24-12-8-5-9-13-24)28-17-21-32(36)42-28;/h4-21,38H,2-3,22H2,1H3;/q-2;+2