dizinc; bis(chloranyl)platinum; 5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-porphyrin-21,24-diide

Systemtic Name: dizinc; bis(chloranyl)platinum; 5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-porphyrin-21,24-diide Openeye Name: dizinc; dichloroplatinum; 5,10,15-tris(p-tolyl)-20-(4-pyridyl)porphyrin-21,24-diide CAS Name: dizinc; dichloroplatinum; 5,10,15-tris(4-methylphenyl)-20-pyridin-4-ylporphyrin-21,24-diide IUPAC Name: dizinc; dichloroplatinum; 5,10,15-tris(4-methylphenyl)-20-pyridin-4-ylporphyrin-21,24-diide Traditional Name: dizinc; dichloroplatinum; 5,10,15-tris(p-tolyl)-20-(4-pyridyl)porphine-21,24-diide Formula: C92H66Cl2N10PtZn2 MolecularWeight: 1708.37744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=NC=C9)[N-]3.CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=NC=C9)[N-]3.Cl[Pt]Cl.[Zn+2].[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=NC=C9)[N-]3.CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=NC=C9)[N-]3.Cl[Pt]Cl.[Zn+2].[Zn+2]

InChI

InChI=1S/2C46H33N5.2ClH.Pt.2Zn/c2*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;;;;;/h2*4-27H,1-3H3;2*1H;;;/q2*-2;;;3*+2/p-2