5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-ethyl-2-imidazolyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,22-dihydroporphine Formula: C40H38N12 MolecularWeight: 686.81012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=NC=CN7CC)C8=NC=CN8CC)C9=NC=CN9CC)N3

Isomeric SMILES

CCN1C=CN=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=NC=CN7CC)C8=NC=CN8CC)C9=NC=CN9CC)N3

InChI

InChI=1S/C40H38N12/c1-5-49-21-17-41-37(49)33-25-9-11-27(45-25)34(38-42-18-22-50(38)6-2)29-13-15-31(47-29)36(40-44-20-24-52(40)8-4)32-16-14-30(48-32)35(28-12-10-26(33)46-28)39-43-19-23-51(39)7-3/h9-24,45-46H,5-8H2,1-4H3