10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(1-tetradecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(1-tetradecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(1-tetradecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-5-(1-tetradecyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(1-tetradecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(1-myristylpyridin-1-ium-4-yl)-21,22-dihydroporphine Formula: C57H64N8+4 MolecularWeight: 861.17166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)N3

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)N3

InChI

InChI=1S/C57H63N8/c1-5-6-7-8-9-10-11-12-13-14-15-16-33-65-40-31-45(32-41-65)57-52-23-21-50(60-52)55(43-27-36-63(3)37-28-43)48-19-17-46(58-48)54(42-25-34-62(2)35-26-42)47-18-20-49(59-47)56(51-22-24-53(57)61-51)44-29-38-64(4)39-30-44/h17-32,34-41H,5-16,33H2,1-4H3,(H,58,59,60,61)/q+3/p+1