5-(3,5-ditert-butylphenyl)-10-(4-iodophenyl)-15,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 5-(3,5-ditert-butylphenyl)-10-(4-iodophenyl)-15,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 5-(3,5-ditert-butylphenyl)-10-(4-iodophenyl)-15,20-diphenyl-21,22-dihydroporphyrin CAS Name: 5-(3,5-ditert-butylphenyl)-10-(4-iodophenyl)-15,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5-(3,5-ditert-butylphenyl)-10-(4-iodophenyl)-15,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 5-(3,5-ditert-butylphenyl)-10-(4-iodophenyl)-15,20-diphenyl-21,22-dihydroporphine Formula: C52H45IN4 MolecularWeight: 852.84497

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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)I)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)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)I)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3)C(C)(C)C

InChI

InChI=1S/C52H45IN4/c1-51(2,3)36-29-35(30-37(31-36)52(4,5)6)50-45-27-25-42(56-45)48(33-15-11-8-12-16-33)40-22-21-39(54-40)47(32-13-9-7-10-14-32)41-23-24-43(55-41)49(44-26-28-46(50)57-44)34-17-19-38(53)20-18-34/h7-31,56-57H,1-6H3