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

Systemtic Name: 10,20-bis(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-5-phenyl-21,22-dihydroporphyrin Openeye Name: 10,20-bis(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-5-phenyl-21,22-dihydroporphyrin CAS Name: 10,20-bis(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-5-phenyl-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-5-phenyl-21,22-dihydroporphyrin Traditional Name: 10,20-bis(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-5-phenyl-21,22-dihydroporphine Formula: C60H61IN4 MolecularWeight: 965.05761

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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=C(C=C7)I)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C9=CC=CC=C9)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=C(C=C7)I)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C9=CC=CC=C9)N3)C(C)(C)C

InChI

InChI=1S/C60H61IN4/c1-57(2,3)40-30-38(31-41(34-40)58(4,5)6)55-49-26-22-45(62-49)53(36-16-14-13-15-17-36)46-23-27-50(63-46)56(39-32-42(59(7,8)9)35-43(33-39)60(10,11)12)52-29-25-48(65-52)54(47-24-28-51(55)64-47)37-18-20-44(61)21-19-37/h13-35,62-63H,1-12H3