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

Systemtic Name: 5,10,20-tris(3,5-ditert-butylphenyl)-15-(3-iodanylphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,20-tris(3,5-ditert-butylphenyl)-15-(3-iodophenyl)-21,22-dihydroporphyrin CAS Name: 5,10,20-tris(3,5-ditert-butylphenyl)-15-(3-iodophenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris(3,5-ditert-butylphenyl)-15-(3-iodophenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,20-tris(3,5-ditert-butylphenyl)-15-(3-iodophenyl)-21,22-dihydroporphine Formula: C68H77IN4 MolecularWeight: 1077.27025

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

InChI

InChI=1S/C68H77IN4/c1-63(2,3)44-30-41(31-45(37-44)64(4,5)6)60-53-24-22-51(70-53)59(40-20-19-21-50(69)36-40)52-23-25-54(71-52)61(42-32-46(65(7,8)9)38-47(33-42)66(10,11)12)56-27-29-58(73-56)62(57-28-26-55(60)72-57)43-34-48(67(13,14)15)39-49(35-43)68(16,17)18/h19-39,72-73H,1-18H3