2,3-(1,1'-Dimethyl-4,4'-bipyridinium-3,3'-diyl)-N,N'-(21H,23H-porphyrin-7,8-diyl)-7,26-dioxo-1,2,3,4,4a,5alpha,5a,6,7,9,12,12a,13alpha,13a,14,16,17,19,19a,20alpha,20a,21,24,26,27,27a,28alpha,28a-octacosahydro-5,28:13,20-dicyclo-1beta,4beta:6beta,27beta:9beta,24beta:12beta,21beta:14beta,19beta-pentamethanododecacene-16,17-diimine

Compound Identifiers & Properties

PubChem CID

100972600

SMILES

CN1C=CC2=C3C=CN(C=C3C4[C@H]5C[C@@H](C4C2=C1)C6C5[C@H]7[C@@H]6C8C7[C@H]9C[C@@H]8C1=C9C(=O)C2=C(C1=O)C=C1[C@@H]3C[C@H](C1=C2)C1=C3C=C2C=C3[C@@H]4C[C@H](C3=CC2=C1)C1C4[C@@H]2[C@H]1C1C2[C@@H]2C[C@H]1C1=CC3=C(C=C21)[NH+]=C1C2=CC4=NC(=CC5=NC(=CC6=NC(=CC(=N2)C1=[NH+]3)C=C6)C=C5)C=C4)C

Canonical SMILES

CN1C=CC2=C3C=CN(C)C=C3C3C(C2=C1)[C@H]1C[C@@H]3C2C1[C@@H]1C3C([C@H]21)[C@@H]1C[C@H]3C2=C1C(=O)c1cc3c(cc1C2=O)[C@H]1C[C@@H]3c2cc3cc4c(cc3cc21)[C@H]1C[C@@H]4C2C1[C@@H]1C3C([C@H]21)[C@@H]1C[C@H]3c2cc3[nH+]c4c([nH+]c3cc21)C1=CC2=NC(=CC3=NC(=CC5=NC(=CC4=N1)C=C5)C=C3)C=C2