2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C52H38N5+ MolecularWeight: 732.89162

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C52H37N5/c1-57-32-30-35(31-33-57)22-23-40-34-47-50(38-18-10-4-11-19-38)45-27-26-43(54-45)48(36-14-6-2-7-15-36)41-24-25-42(53-41)49(37-16-8-3-9-17-37)44-28-29-46(55-44)51(52(40)56-47)39-20-12-5-13-21-39/h2-34H,1H3,(H,53,54,55,56)/p+1