5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetrabromide

Systemtic Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetrabromide Openeye Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetrabromide CAS Name: 5,10,15,20-tetrakis(1-hept-6-enyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin tetrabromide IUPAC Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetrabromide Traditional Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-4-yl)-21,22-dihydroporphine tetrabromide Formula: C68H78Br4N8 MolecularWeight: 1327.01652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C68H77N8.4BrH/c1-5-9-13-17-21-41-73-45-33-53(34-46-73)65-57-25-27-59(69-57)66(54-35-47-74(48-36-54)42-22-18-14-10-6-2)61-29-31-63(71-61)68(56-39-51-76(52-40-56)44-24-20-16-12-8-4)64-32-30-62(72-64)67(60-28-26-58(65)70-60)55-37-49-75(50-38-55)43-23-19-15-11-7-3;;;;/h5-8,25-40,45-52H,1-4,9-24,41-44H2,(H,69,70,71,72);4*1H/q+3;;;;/p-3