5,15-dibutyl-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+)

Systemtic Name: 5,15-dibutyl-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous 5,15-dibutyl-10,20-diphenyl-porphyrin-21,22-diide CAS Name: 5,15-dibutyl-10,20-diphenylporphyrin-21,22-diide; nickel(2+) IUPAC Name: 5,15-dibutyl-10,20-diphenylporphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous 5,15-dibutyl-10,20-diphenyl-porphine-21,22-diide Formula: C40H36N4Ni MolecularWeight: 631.43404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)CCCC)C=C3)C7=CC=CC=C7)[N-]2.[Ni+2]

Isomeric SMILES

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)CCCC)C=C3)C7=CC=CC=C7)[N-]2.[Ni+2]

InChI

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