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

Systemtic Name: 5,10,15,20-tetrakis(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphine Formula: C44H42N8 MolecularWeight: 682.85788

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CCN(C=C7)C)C8=CCN(C=C8)C)C9=CCN(C=C9)C)N3

Isomeric SMILES

CN1CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CCN(C=C7)C)C8=CCN(C=C8)C)C9=CCN(C=C9)C)N3

InChI

InChI=1S/C44H42N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-21,23,25,27,45-46H,22,24,26,28H2,1-4H3