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

Systemtic Name: 5,10,15-tris(1-ethylpyridin-1-ium-4-yl)-20-(1-ethylpyridin-4-ylidene)-21H-porphyrin Openeye Name: 5,10,15-tris(1-ethylpyridin-1-ium-4-yl)-20-(1-ethyl-4-pyridylidene)-21H-porphyrin CAS Name: 5,10,15-tris(1-ethyl-4-pyridin-1-iumyl)-20-(1-ethyl-4-pyridinylidene)-21H-porphyrin IUPAC Name: 5,10,15-tris(1-ethylpyridin-1-ium-4-yl)-20-(1-ethylpyridin-4-ylidene)-21H-porphyrin Traditional Name: 5,10,15-tris(1-ethylpyridin-1-ium-4-yl)-20-(1-ethyl-4-pyridylidene)-21H-porphine Formula: C48H45N8+3 MolecularWeight: 733.9245

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)CC)C=C5)C8=CC=[N+](C=C8)CC)C=C4)C9=CC=[N+](C=C9)CC)C=C3)C=C1

Isomeric SMILES

CCN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)CC)C=C5)C8=CC=[N+](C=C8)CC)C=C4)C9=CC=[N+](C=C9)CC)C=C3)C=C1

InChI

InChI=1S/C48H45N8/c1-5-53-25-17-33(18-26-53)45-37-9-11-39(49-37)46(34-19-27-54(6-2)28-20-34)41-13-15-43(51-41)48(36-23-31-56(8-4)32-24-36)44-16-14-42(52-44)47(40-12-10-38(45)50-40)35-21-29-55(7-3)30-22-35/h9-32,49H,5-8H2,1-4H3/q+3