5,10,15,20-tetrakis(4-propan-2-ylphenyl)-21,22-dihydroporphyrin-2-carbaldehyde

Systemtic Name: 5,10,15,20-tetrakis(4-propan-2-ylphenyl)-21,22-dihydroporphyrin-2-carbaldehyde Openeye Name: 5,10,15,20-tetrakis(4-isopropylphenyl)-21,22-dihydroporphyrin-2-carbaldehyde CAS Name: 5,10,15,20-tetrakis(4-propan-2-ylphenyl)-21,22-dihydroporphyrin-2-carboxaldehyde IUPAC Name: 5,10,15,20-tetrakis(4-propan-2-ylphenyl)-21,22-dihydroporphyrin-2-carbaldehyde Traditional Name: 5,10,15,20-tetrakis(p-cumenyl)-21,22-dihydroporphine-2-carbaldehyde Formula: C57H54N4O MolecularWeight: 811.06486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H54N4O/c1-33(2)37-9-17-41(18-10-37)53-46-25-26-47(58-46)54(42-19-11-38(12-20-42)34(3)4)49-29-30-51(60-49)56(44-23-15-40(16-24-44)36(7)8)57-45(32-62)31-52(61-57)55(50-28-27-48(53)59-50)43-21-13-39(14-22-43)35(5)6/h9-36,59,61H,1-8H3