palladium(2+); 5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: palladium(2+); 5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin Openeye Name: palladium(2+); 5,10,20-tris(p-tolyl)-15-(4-pyridyl)-21,22-dihydroporphyrin CAS Name: palladium(2+); 5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: palladium(2+); 5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin Traditional Name: palladium(2+); 5,10,20-tris(p-tolyl)-15-(4-pyridyl)-21,22-dihydroporphine Formula: C184H140N20Pd+2 MolecularWeight: 2737.6344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3.CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3.CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3.CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3.[Pd+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3.CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3.CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3.CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3.[Pd+2]

InChI

InChI=1S/4C46H35N5.Pd/c4*1-28-4-10-31(11-5-28)43-35-16-18-37(48-35)44(32-12-6-29(2)7-13-32)39-20-22-41(50-39)46(34-24-26-47-27-25-34)42-23-21-40(51-42)45(38-19-17-36(43)49-38)33-14-8-30(3)9-15-33;/h4*4-27,48-49H,1-3H3;/q;;;;+2