5,10,15-tris(1-propylpyridin-1-ium-4-yl)-20-(1-propylpyridin-4-ylidene)-21H-porphyrin

Systemtic Name: 5,10,15-tris(1-propylpyridin-1-ium-4-yl)-20-(1-propylpyridin-4-ylidene)-21H-porphyrin Openeye Name: 5,10,15-tris(1-propylpyridin-1-ium-4-yl)-20-(1-propyl-4-pyridylidene)-21H-porphyrin CAS Name: 5,10,15-tris(1-propyl-4-pyridin-1-iumyl)-20-(1-propyl-4-pyridinylidene)-21H-porphyrin IUPAC Name: 5,10,15-tris(1-propylpyridin-1-ium-4-yl)-20-(1-propylpyridin-4-ylidene)-21H-porphyrin Traditional Name: 5,10,15-tris(1-propylpyridin-1-ium-4-yl)-20-(1-propyl-4-pyridylidene)-21H-porphine Formula: C52H53N8+3 MolecularWeight: 790.03082

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)CCC)C=C5)C8=CC=[N+](C=C8)CCC)C=C4)C9=CC=[N+](C=C9)CCC)C=C3)C=C1

Isomeric SMILES

CCCN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)CCC)C=C5)C8=CC=[N+](C=C8)CCC)C=C4)C9=CC=[N+](C=C9)CCC)C=C3)C=C1

InChI

InChI=1S/C52H53N8/c1-5-25-57-29-17-37(18-30-57)49-41-9-11-43(53-41)50(38-19-31-58(26-6-2)32-20-38)45-13-15-47(55-45)52(40-23-35-60(28-8-4)36-24-40)48-16-14-46(56-48)51(44-12-10-42(49)54-44)39-21-33-59(27-7-3)34-22-39/h9-24,29-36,53H,5-8,25-28H2,1-4H3/q+3