2,17,18,20-tetrakis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetrakis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetrakis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetramesityl-21,22-dihydroporphine Formula: C56H54N4 MolecularWeight: 783.05476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)C

InChI

InChI=1S/C56H54N4/c1-29-17-33(5)48(34(6)18-29)46-27-45-26-43-14-13-41(57-43)25-42-15-16-44(58-42)28-47-52(49-35(7)19-30(2)20-36(49)8)53(50-37(9)21-31(3)22-38(50)10)56(60-47)54(55(46)59-45)51-39(11)23-32(4)24-40(51)12/h13-28,57,59H,1-12H3