5,10,20-tris[2-(1-methylpyridin-1-ium-2-yl)ethynyl]-15-pentyl-21,22-dihydroporphyrin

Systemtic Name: 5,10,20-tris[2-(1-methylpyridin-1-ium-2-yl)ethynyl]-15-pentyl-21,22-dihydroporphyrin Openeye Name: 5,10,20-tris[2-(1-methylpyridin-1-ium-2-yl)ethynyl]-15-pentyl-21,22-dihydroporphyrin CAS Name: 5,10,20-tris[2-(1-methyl-2-pyridin-1-iumyl)ethynyl]-15-pentyl-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris[2-(1-methylpyridin-1-ium-2-yl)ethynyl]-15-pentyl-21,22-dihydroporphyrin Traditional Name: 15-amyl-5,10,20-tris[2-(1-methylpyridin-1-ium-2-yl)ethynyl]-21,22-dihydroporphine Formula: C49H42N7+3 MolecularWeight: 728.90468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C#CC6=CC=CC=[N+]6C)C#CC7=CC=CC=[N+]7C)N3)C#CC8=CC=CC=[N+]8C

Isomeric SMILES

CCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C#CC6=CC=CC=[N+]6C)C#CC7=CC=CC=[N+]7C)N3)C#CC8=CC=CC=[N+]8C

InChI

InChI=1S/C49H41N7/c1-5-6-7-17-38-42-24-26-44(50-42)39(21-18-35-14-8-11-32-54(35)2)46-28-30-48(52-46)41(23-20-37-16-10-13-34-56(37)4)49-31-29-47(53-49)40(45-27-25-43(38)51-45)22-19-36-15-9-12-33-55(36)3/h8-16,24-34H,5-7,17H2,1-4H3,(H,50,51,52,53)/q+2/p+1