10,20-bis(3,5-ditert-butylphenyl)-13-[(E)-2-phenylethenyl]-21,22-dihydroporphyrin

Systemtic Name: 10,20-bis(3,5-ditert-butylphenyl)-13-[(E)-2-phenylethenyl]-21,22-dihydroporphyrin Openeye Name: 10,20-bis(3,5-ditert-butylphenyl)-13-[(E)-styryl]-21,22-dihydroporphyrin CAS Name: 10,20-bis(3,5-ditert-butylphenyl)-13-[(E)-2-phenylethenyl]-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(3,5-ditert-butylphenyl)-13-[(E)-2-phenylethenyl]-21,22-dihydroporphyrin Traditional Name: 10,20-bis(3,5-ditert-butylphenyl)-13-[(E)-styryl]-21,22-dihydroporphine Formula: C56H60N4 MolecularWeight: 789.1024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=C(C(=N5)C=C6C=CC2=N6)C=CC7=CC=CC=C7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=C(C(=N5)C=C6C=CC2=N6)/C=C/C7=CC=CC=C7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

InChI

InChI=1S/C56H60N4/c1-53(2,3)39-26-37(27-40(31-39)54(4,5)6)51-46-23-20-43(57-46)33-44-21-24-48(58-44)52(38-28-41(55(7,8)9)32-42(29-38)56(10,11)12)50-30-36(19-18-35-16-14-13-15-17-35)49(60-50)34-45-22-25-47(51)59-45/h13-34,57-58H,1-12H3/b19-18+,43-33?,44-33?,45-34?,49-34?,51-46?,51-47?,52-48?,52-50?