5,10,15,20-tetrakis[4-(4-ethylpiperazin-1-yl)phenyl]-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis[4-(4-ethylpiperazin-1-yl)phenyl]-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis[4-(4-ethylpiperazin-1-yl)phenyl]-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis[4-(4-ethyl-1-piperazinyl)phenyl]-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis[4-(4-ethylpiperazin-1-yl)phenyl]-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis[4-(4-ethylpiperazino)phenyl]-21,22-dihydroporphine Formula: C68H78N12 MolecularWeight: 1063.42732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC=C(C=C8)N9CCN(CC9)CC)C1=CC=C(C=C1)N1CCN(CC1)CC)C1=CC=C(C=C1)N1CCN(CC1)CC)N4

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC=C(C=C8)N9CCN(CC9)CC)C1=CC=C(C=C1)N1CCN(CC1)CC)C1=CC=C(C=C1)N1CCN(CC1)CC)N4

InChI

InChI=1S/C68H78N12/c1-5-73-33-41-77(42-34-73)53-17-9-49(10-18-53)65-57-25-27-59(69-57)66(50-11-19-54(20-12-50)78-43-35-74(6-2)36-44-78)61-29-31-63(71-61)68(52-15-23-56(24-16-52)80-47-39-76(8-4)40-48-80)64-32-30-62(72-64)67(60-28-26-58(65)70-60)51-13-21-55(22-14-51)79-45-37-75(7-3)38-46-79/h9-32,69-70H,5-8,33-48H2,1-4H3