5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(3-methyl-4-imidazolyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(3-methylimidazol-4-yl)-21,22-dihydroporphine Formula: C36H30N12 MolecularWeight: 630.7038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CN=CN7C)C8=CN=CN8C)C9=CN=CN9C)N3

Isomeric SMILES

CN1C=NC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CN=CN7C)C8=CN=CN8C)C9=CN=CN9C)N3

InChI

InChI=1S/C36H30N12/c1-45-17-37-13-29(45)33-21-5-7-23(41-21)34(30-14-38-18-46(30)2)25-9-11-27(43-25)36(32-16-40-20-48(32)4)28-12-10-26(44-28)35(24-8-6-22(33)42-24)31-15-39-19-47(31)3/h5-20,41-42H,1-4H3