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

Systemtic Name: 5,15-dipentyl-10,20-diphenyl-porphyrin-21,22-diide; palladium(2+) Openeye Name: 5,15-dipentyl-10,20-diphenyl-porphyrin-21,22-diide; palladium(2+) CAS Name: 5,15-dipentyl-10,20-diphenylporphyrin-21,22-diide; palladium(2+) IUPAC Name: 5,15-dipentyl-10,20-diphenylporphyrin-21,22-diide; palladium(2+) Traditional Name: 5,15-diamyl-10,20-diphenyl-porphine-21,22-diide; palladium(2+) Formula: C42H40N4Pd MolecularWeight: 707.2138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)CCCCC)C=C3)C7=CC=CC=C7)[N-]2.[Pd+2]

Isomeric SMILES

CCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)CCCCC)C=C3)C7=CC=CC=C7)[N-]2.[Pd+2]

InChI

InChI=1S/C42H40N4.Pd/c1-3-5-9-19-31-33-21-25-37(43-33)41(29-15-11-7-12-16-29)39-27-23-35(45-39)32(20-10-6-4-2)36-24-28-40(46-36)42(30-17-13-8-14-18-30)38-26-22-34(31)44-38;/h7-8,11-18,21-28H,3-6,9-10,19-20H2,1-2H3;/q-2;+2