5,10,15,20-tetraphenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)-21,22-dihydroporphyrin perchlorate

Systemtic Name: 5,10,15,20-tetraphenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)-21,22-dihydroporphyrin perchlorate Openeye Name: 5,10,15,20-tetraphenyl-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]-21,22-dihydroporphyrin perchlorate CAS Name: 5,10,15,20-tetraphenyl-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)-21,22-dihydroporphyrin perchlorate IUPAC Name: 5,10,15,20-tetraphenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)-21,22-dihydroporphyrin perchlorate Traditional Name: 5,10,15,20-tetraphenyl-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]-21,22-dihydroporphine perchlorate Formula: C54H37ClN6O4 MolecularWeight: 869.36238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)[N+]9=CC=C(C=C9)C1=CC=NC=C1)C1=CC=CC=C1)N3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)[N+]9=CC=C(C=C9)C1=CC=NC=C1)C1=CC=CC=C1)N3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C54H36N6.ClHO4/c1-5-13-38(14-6-1)50-42-21-22-43(56-42)51(39-15-7-2-8-16-39)45-25-26-47(58-45)53(41-19-11-4-12-20-41)54-49(60-33-29-37(30-34-60)36-27-31-55-32-28-36)35-48(59-54)52(40-17-9-3-10-18-40)46-24-23-44(50)57-46;2-1(3,4)5/h1-35,55H;(H,2,3,4,5)