5,10,15,20-tetrakis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1,2-dimethyl-4-pyrazol-2-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22-dihydroporphine Formula: C40H42N12+4 MolecularWeight: 690.84188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=[N+]1C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CN([N+](=C7)C)C)C8=CN([N+](=C8)C)C)C9=CN([N+](=C9)C)C)N3

Isomeric SMILES

CN1C=C(C=[N+]1C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CN([N+](=C7)C)C)C8=CN([N+](=C8)C)C)C9=CN([N+](=C9)C)C)N3

InChI

InChI=1S/C40H42N12/c1-45-17-25(18-46(45)2)37-29-9-11-31(41-29)38(26-19-47(3)48(4)20-26)33-13-15-35(43-33)40(28-23-51(7)52(8)24-28)36-16-14-34(44-36)39(32-12-10-30(37)42-32)27-21-49(5)50(6)22-27/h9-24,41-42H,1-8H3/q+4