5-butan-2-yl-15-tert-butyl-10,20-diphenyl-porphyrin-22,24-diide; nickel(2+)

Systemtic Name: 5-butan-2-yl-15-tert-butyl-10,20-diphenyl-porphyrin-22,24-diide; nickel(2+) Openeye Name: nickelous 5-tert-butyl-10,20-diphenyl-15-sec-butyl-porphyrin-22,24-diide CAS Name: 5-butan-2-yl-15-tert-butyl-10,20-diphenylporphyrin-22,24-diide; nickel(2+) IUPAC Name: 5-butan-2-yl-15-tert-butyl-10,20-diphenylporphyrin-22,24-diide; nickel(2+) Traditional Name: nickelous 5-tert-butyl-10,20-diphenyl-15-sec-butyl-porphine-22,24-diide Formula: C40H36N4Ni MolecularWeight: 631.43404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)C(C)(C)C)C=C3)C7=CC=CC=C7)[N-]2.[Ni+2]

Isomeric SMILES

CCC(C)C1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)C(C)(C)C)C=C3)C7=CC=CC=C7)[N-]2.[Ni+2]

InChI

InChI=1S/C40H36N4.Ni/c1-6-25(2)36-28-17-19-30(41-28)37(26-13-9-7-10-14-26)32-21-23-34(43-32)39(40(3,4)5)35-24-22-33(44-35)38(27-15-11-8-12-16-27)31-20-18-29(36)42-31;/h7-25H,6H2,1-5H3;/q-2;+2