tetrazinc; platinum(2+); 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin-21,23-diium

Systemtic Name: tetrazinc; platinum(2+); 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin-21,23-diium Openeye Name: tetrazinc; platinum(2+); 5,10,15-triphenyl-20-(4-pyridyl)-21,23-dihydroporphyrin-21,23-diium CAS Name: tetrazinc; platinum(2+); 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin-21,23-diium IUPAC Name: tetrazinc; platinum(2+); 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin-21,23-diium Traditional Name: tetrazinc; platinum(2+); 5,10,15-triphenyl-20-(4-pyridyl)-21,23-dihydroporphine-21,23-diium Formula: C172H124N20PtZn4+18 MolecularWeight: 2927.67296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([NH2+]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=NC=C8)C=C4)C9=CC=CC=C9)[NH2+]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([NH2+]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=NC=C8)C=C4)C9=CC=CC=C9)[NH2+]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([NH2+]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=NC=C8)C=C4)C9=CC=CC=C9)[NH2+]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([NH2+]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=NC=C8)C=C4)C9=CC=CC=C9)[NH2+]3.[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Pt+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([NH2+]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=NC=C8)C=C4)C9=CC=CC=C9)[NH2+]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([NH2+]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=NC=C8)C=C4)C9=CC=CC=C9)[NH2+]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([NH2+]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=NC=C8)C=C4)C9=CC=CC=C9)[NH2+]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([NH2+]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=NC=C8)C=C4)C9=CC=CC=C9)[NH2+]3.[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Pt+2]

InChI

InChI=1S/4C43H29N5.Pt.4Zn/c4*1-4-10-28(11-5-1)40-32-16-18-34(45-32)41(29-12-6-2-7-13-29)36-20-22-38(47-36)43(31-24-26-44-27-25-31)39-23-21-37(48-39)42(30-14-8-3-9-15-30)35-19-17-33(40)46-35;;;;;/h4*1-27,45,48H;;;;;/q;;;;5*+2/p+8