5,10,15,20-tetrakis(4-methyl-1,2,4-triazol-3-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-methyl-1,2,4-triazol-3-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(4-methyl-1,2,4-triazol-3-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(4-methyl-1,2,4-triazol-3-yl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(4-methyl-1,2,4-triazol-3-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(4-methyl-1,2,4-triazol-3-yl)-21,22-dihydroporphine Formula: C32H26N16 MolecularWeight: 634.65604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H26N16/c1-45-13-33-41-29(45)25-17-5-7-19(37-17)26(30-42-34-14-46(30)2)21-9-11-23(39-21)28(32-44-36-16-48(32)4)24-12-10-22(40-24)27(20-8-6-18(25)38-20)31-43-35-15-47(31)3/h5-16,37-38H,1-4H3