10,15,20-tris(4-bromophenyl)-5-(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-tris(4-bromophenyl)-5-(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(4-bromophenyl)-5-(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(4-bromophenyl)-5-(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(4-bromophenyl)-5-(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Traditional Name: 10,15,20-tris(4-bromophenyl)-5-(3,5-ditert-butylphenyl)-21,22-dihydroporphine Formula: C52H43Br3N4 MolecularWeight: 963.63662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)Br)C=C5)C8=CC=C(C=C8)Br)C=C4)C9=CC=C(C=C9)Br)N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)Br)C=C5)C8=CC=C(C=C8)Br)C=C4)C9=CC=C(C=C9)Br)N3)C(C)(C)C

InChI

InChI=1S/C52H43Br3N4/c1-51(2,3)34-27-33(28-35(29-34)52(4,5)6)50-45-25-23-43(58-45)48(31-9-15-37(54)16-10-31)41-21-19-39(56-41)47(30-7-13-36(53)14-8-30)40-20-22-42(57-40)49(44-24-26-46(50)59-44)32-11-17-38(55)18-12-32/h7-29,58-59H,1-6H3