5,10,15,20-tetrakis(1-hex-5-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-hex-5-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-hex-5-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-hex-5-enyl-3-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-hex-5-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-hex-5-enylpyridin-1-ium-3-yl)-21,22-dihydroporphine Formula: C64H70N8+4 MolecularWeight: 951.2942

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC[N+]1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C[N+](=CC=C7)CCCCC=C)C8=C[N+](=CC=C8)CCCCC=C)C9=C[N+](=CC=C9)CCCCC=C)N3

Isomeric SMILES

C=CCCCC[N+]1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C[N+](=CC=C7)CCCCC=C)C8=C[N+](=CC=C8)CCCCC=C)C9=C[N+](=CC=C9)CCCCC=C)N3

InChI

InChI=1S/C64H70N8/c1-5-9-13-17-37-69-41-21-25-49(45-69)61-53-29-31-55(65-53)62(50-26-22-42-70(46-50)38-18-14-10-6-2)57-33-35-59(67-57)64(52-28-24-44-72(48-52)40-20-16-12-8-4)60-36-34-58(68-60)63(56-32-30-54(61)66-56)51-27-23-43-71(47-51)39-19-15-11-7-3/h5-8,21-36,41-48,65-66H,1-4,9-20,37-40H2/q+4