5,10,15,20-tetrakis(4-azidophenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-azidophenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(4-azidophenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(4-azidophenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(4-azidophenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(4-azidophenyl)-21,22-dihydroporphine Formula: C44H26N16 MolecularWeight: 778.78444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)N=[N+]=[N-])C8=CC=C(C=C8)N=[N+]=[N-])C9=CC=C(C=C9)N=[N+]=[N-])N3)N=[N+]=[N-]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)N=[N+]=[N-])C8=CC=C(C=C8)N=[N+]=[N-])C9=CC=C(C=C9)N=[N+]=[N-])N3)N=[N+]=[N-]

InChI

InChI=1S/C44H26N16/c45-57-53-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)54-58-46)37-21-23-39(51-37)44(28-7-15-32(16-8-28)56-60-48)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)55-59-47/h1-24,49-50H