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

Systemtic Name: 5,10-bis(3,5-ditert-butylphenyl)-15,20-bis(4-iodophenyl)-21,22-dihydroporphyrin Openeye Name: 5,10-bis(3,5-ditert-butylphenyl)-15,20-bis(4-iodophenyl)-21,22-dihydroporphyrin CAS Name: 5,10-bis(3,5-ditert-butylphenyl)-15,20-bis(4-iodophenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10-bis(3,5-ditert-butylphenyl)-15,20-bis(4-iodophenyl)-21,22-dihydroporphyrin Traditional Name: 5,10-bis(3,5-ditert-butylphenyl)-15,20-bis(4-iodophenyl)-21,22-dihydroporphine Formula: C60H60I2N4 MolecularWeight: 1090.95414

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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(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C5)C8=CC=C(C=C8)I)C=C4)C9=CC=C(C=C9)I)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(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C5)C8=CC=C(C=C8)I)C=C4)C9=CC=C(C=C9)I)N3)C(C)(C)C

InChI

InChI=1S/C60H60I2N4/c1-57(2,3)39-29-37(30-40(33-39)58(4,5)6)55-49-25-23-47(64-49)53(35-13-17-43(61)18-14-35)45-21-22-46(63-45)54(36-15-19-44(62)20-16-36)48-24-26-50(65-48)56(52-28-27-51(55)66-52)38-31-41(59(7,8)9)34-42(32-38)60(10,11)12/h13-34,64,66H,1-12H3