5,10,15-tris(1,3-diethylimidazol-1-ium-2-yl)-20-(1,3-diethylimidazol-2-ylidene)-21H-porphyrin

Systemtic Name: 5,10,15-tris(1,3-diethylimidazol-1-ium-2-yl)-20-(1,3-diethylimidazol-2-ylidene)-21H-porphyrin Openeye Name: 5,10,15-tris(1,3-diethylimidazol-1-ium-2-yl)-20-(1,3-diethylimidazol-2-ylidene)-21H-porphyrin CAS Name: 5,10,15-tris(1,3-diethyl-2-imidazol-1-iumyl)-20-(1,3-diethyl-2-imidazolylidene)-21H-porphyrin IUPAC Name: 5,10,15-tris(1,3-diethylimidazol-1-ium-2-yl)-20-(1,3-diethylimidazol-2-ylidene)-21H-porphyrin Traditional Name: 5-(1,3-diethyl-4-imidazolin-2-ylidene)-10,15,20-tris(1,3-diethylimidazol-1-ium-2-yl)-21H-porphine Formula: C48H57N12+3 MolecularWeight: 802.04658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN(C1=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=[N+](C=CN7CC)CC)C=C5)C8=[N+](C=CN8CC)CC)C=C4)C9=[N+](C=CN9CC)CC)C=C3)CC

Isomeric SMILES

CCN1C=CN(C1=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=[N+](C=CN7CC)CC)C=C5)C8=[N+](C=CN8CC)CC)C=C4)C9=[N+](C=CN9CC)CC)C=C3)CC

InChI

InChI=1S/C48H57N12/c1-9-53-25-26-54(10-2)45(53)41-33-17-19-35(49-33)42(46-55(11-3)27-28-56(46)12-4)37-21-23-39(51-37)44(48-59(15-7)31-32-60(48)16-8)40-24-22-38(52-40)43(36-20-18-34(41)50-36)47-57(13-5)29-30-58(47)14-6/h17-32,49H,9-16H2,1-8H3/q+3