3,5,7-[3,5-Bis(3,5-di-tert-butylphenyl)-4,4-difluoro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-1,8,7-triyl]-13,15,17-[3,5-bis(3,5-di-tert-butylphenyl)-4,4-difluoro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-7,8,1-triyl]-10,20-bis[3,5-bis(3,5-di-tert-butylphenyl)-4,4-difluoro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-8-yl]-21H,23H-porphyrin

化合物标识与属性

PubChem CID

101796609

SMILES

[B-]1(N2C(=CC=C2C(=C3[N+]1=C(C=C3)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C5=C6C=C7C8=CC(=[N+]9C8=C1C(=C2C(=C3C1=[N+]([B-]9(F)F)C(=C3)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)[CH+]C(=C(C1=[N+]=C3C(=C1)C1=CC(=[N+]4C1=C1C3=C3C(=C8C1=[N+]([B-]4(F)F)C(=C8)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C=C5N3)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=C3C=CC(=[N+]3[B-](N3C1=CC=C3C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)(F)F)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)N2)C7=N6)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)(F)F

Canonical SMILES

CC(C)(C)c1cc(C2=Cc3c4c5c6c(c7c8c5c5[nH]c(cc35)C(C3=C5C=CC(c9cc(C(C)(C)C)cc(C(C)(C)C)c9)=[N+]5[B-](F)(F)n5c3ccc5-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3cc5c9cc(-c%10cc(C(C)(C)C)cc(C(C)(C)C)c%10)[n+]%10c9c9c(c5n3)c3[nH]c([cH+]c3c3cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)[n+](c39)[B-]%10(F)F)=C(C3=C5C=CC(c9cc(C(C)(C)C)cc(C(C)(C)C)c9)=[N+]5[B-](F)(F)n5c3ccc5-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C(=[N+]=8)C=7)=CC(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=[N+]6[B-](F)(F)[N+]=42)cc(C(C)(C)C)c1