5,10,15,20-tetrakis[5-(furan-2-yl)-1-methyl-pyridin-1-ium-3-yl]-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis[5-(furan-2-yl)-1-methyl-pyridin-1-ium-3-yl]-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis[5-(2-furyl)-1-methyl-pyridin-1-ium-3-yl]-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis[5-(2-furanyl)-1-methyl-3-pyridin-1-iumyl]-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis[5-(furan-2-yl)-1-methylpyridin-1-ium-3-yl]-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis[5-(2-furyl)-1-methyl-pyridin-1-ium-3-yl]-21,22-dihydroporphine Formula: C60H46N8O4+4 MolecularWeight: 943.05844

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC(=C1)C2=CC=CO2)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC(=C[N+](=C8)C)C9=CC=CO9)C1=CC(=C[N+](=C1)C)C1=CC=CO1)C1=CC(=C[N+](=C1)C)C1=CC=CO1)N4

Isomeric SMILES

C[N+]1=CC(=CC(=C1)C2=CC=CO2)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC(=C[N+](=C8)C)C9=CC=CO9)C1=CC(=C[N+](=C1)C)C1=CC=CO1)C1=CC(=C[N+](=C1)C)C1=CC=CO1)N4

InChI

InChI=1S/C60H46N8O4/c1-65-29-37(53-9-5-21-69-53)25-41(33-65)57-45-13-15-47(61-45)58(42-26-38(30-66(2)34-42)54-10-6-22-70-54)49-17-19-51(63-49)60(44-28-40(32-68(4)36-44)56-12-8-24-72-56)52-20-18-50(64-52)59(48-16-14-46(57)62-48)43-27-39(31-67(3)35-43)55-11-7-23-71-55/h5-36,61-62H,1-4H3/q+4