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

Systemtic Name: 10,20-bis(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-21,22-dihydroporphyrin Openeye Name: 10,20-bis(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-21,22-dihydroporphyrin CAS Name: 10,20-bis(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-21,22-dihydroporphyrin Traditional Name: 10,20-bis(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-21,22-dihydroporphine Formula: C54H57IN4 MolecularWeight: 888.96165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=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)N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=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)N3)C(C)(C)C

InChI

InChI=1S/C54H57IN4/c1-51(2,3)35-25-33(26-36(29-35)52(4,5)6)49-42-19-17-40(56-42)31-41-18-20-43(57-41)50(34-27-37(53(7,8)9)30-38(28-34)54(10,11)12)47-24-22-45(59-47)48(44-21-23-46(49)58-44)32-13-15-39(55)16-14-32/h13-31,56-57H,1-12H3