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

Systemtic Name: 5,10,15,20-tetrakis(1,4,5-trimethylimidazol-2-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1,4,5-trimethylimidazol-2-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1,4,5-trimethyl-2-imidazolyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1,4,5-trimethylimidazol-2-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1,4,5-trimethylimidazol-2-yl)-21,22-dihydroporphine Formula: C44H46N12 MolecularWeight: 742.91644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=NC(=C(N7C)C)C)C8=NC(=C(N8C)C)C)C9=NC(=C(N9C)C)C)N3)C)C

Isomeric SMILES

CC1=C(N(C(=N1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=NC(=C(N7C)C)C)C8=NC(=C(N8C)C)C)C9=NC(=C(N9C)C)C)N3)C)C

InChI

InChI=1S/C44H46N12/c1-21-25(5)53(9)41(45-21)37-29-13-15-31(49-29)38(42-46-22(2)26(6)54(42)10)33-17-19-35(51-33)40(44-48-24(4)28(8)56(44)12)36-20-18-34(52-36)39(32-16-14-30(37)50-32)43-47-23(3)27(7)55(43)11/h13-20,49-50H,1-12H3