5,10,15,20-tetrakis(3,5-ditert-butylphenyl)-2-iodanyl-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(3,5-ditert-butylphenyl)-2-iodanyl-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(3,5-ditert-butylphenyl)-2-iodo-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(3,5-ditert-butylphenyl)-2-iodo-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(3,5-ditert-butylphenyl)-2-iodo-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(3,5-ditert-butylphenyl)-2-iodo-21,22-dihydroporphine Formula: C76H93IN4 MolecularWeight: 1189.48289

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C76H93IN4/c1-69(2,3)48-31-44(32-49(39-48)70(4,5)6)64-57-25-26-58(78-57)65(45-33-50(71(7,8)9)40-51(34-45)72(10,11)12)60-29-30-62(80-60)67(47-37-54(75(19,20)21)42-55(38-47)76(22,23)24)68-56(77)43-63(81-68)66(61-28-27-59(64)79-61)46-35-52(73(13,14)15)41-53(36-46)74(16,17)18/h25-43,79,81H,1-24H3