2,7,12,17-tetramethyl-3,8,13,18-tetraphenethyl-21,22-dihydroporphyrin

Systemtic Name: 2,7,12,17-tetramethyl-3,8,13,18-tetraphenethyl-21,22-dihydroporphyrin Openeye Name: 2,7,12,17-tetramethyl-3,8,13,18-tetraphenethyl-21,22-dihydroporphyrin CAS Name: 2,7,12,17-tetramethyl-3,8,13,18-tetraphenethyl-21,22-dihydroporphyrin IUPAC Name: 2,7,12,17-tetramethyl-3,8,13,18-tetraphenethyl-21,22-dihydroporphyrin Traditional Name: 2,7,12,17-tetramethyl-3,8,13,18-tetraphenethyl-21,22-dihydroporphine Formula: C56H54N4 MolecularWeight: 783.05476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC6=CC=CC=C6)C)C(=C4C)CCC7=CC=CC=C7)C(=C3C)CCC8=CC=CC=C8)CCC9=CC=CC=C9

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC6=CC=CC=C6)C)C(=C4C)CCC7=CC=CC=C7)C(=C3C)CCC8=CC=CC=C8)CCC9=CC=CC=C9

InChI

InChI=1S/C56H54N4/c1-37-45(29-25-41-17-9-5-10-18-41)53-34-50-39(3)47(31-27-43-21-13-7-14-22-43)55(59-50)36-52-40(4)48(32-28-44-23-15-8-16-24-44)56(60-52)35-51-38(2)46(54(58-51)33-49(37)57-53)30-26-42-19-11-6-12-20-42/h5-24,33-36,57-58H,25-32H2,1-4H3