N,N'-[3,2-[6,5-[2beta,3beta-(1,1'-Dimethyl-4,4'-bipyridinium-3,3'-diyl)-9alpha,10alpha-dimethyl-9,10-cyclo-1beta,4beta:5beta,8beta-dimethano-1,2,3,4,4a,5,8,8a,9,9a,10,10a-dodecahydroanthracene-6,7-diylbiscarbonyl]indan-1alpha,3alpha-diyl]-5,16-dimethoxy-7alpha,14alpha-dimethyl-7,14-cyclo-6beta,15beta:8beta,13beta-dimethano-6,6a,7,7a,8,13,13a,14,14a,15-decahydrohexacene-10,11-diyl]-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-7,8-diamine

化合物标识与属性

PubChem CID

101390098

SMILES

CC12C3C4CC(C3C1(C5C2C6CC5C7=C6C(=O)C8=C(C7=O)C=C9C1CC(C9=C8)C2=C1C=C1C(=C2)C(=C2C3CC(C2=C1OC)C1C3C2(C1(C1C2C2CC1C1=CC3=C(C=C21)[NH2+]C1=C2C(=C5C=CC(=[NH+]5)C(=C5C=CC(=C(C6=[NH+]C(=C(C(=N2)C1=N3)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C=C6)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)[N-]5)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C)C)OC)C)C1C4C2=CN(C=CC2=C2C1=CN(C=C2)C)C

Canonical SMILES

COc1c2c(c(OC)c3cc4c(cc13)C1CC4c3cc4c(cc31)C(=O)C1=C(C4=O)C3CC1C1C3C3(C)C4C5CC(C6C7=CN(C)C=CC7=C7C=CN(C)C=C7C56)C4C13C)C1CC2C2C1C1(C)C3C4CC(c5cc6c(cc54)[NH2+]C4=C5N=C(C4=N6)C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)=C4C=CC(=[NH+]4)C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)=c4ccc([n-]4)=C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)C4=[NH+]C(=C5c5cc(C(C)(C)C)cc(C(C)(C)C)c5)C=C4)C3C21C