5-(4-iodophenyl)-10,15,20-tri(tridecan-7-yl)-21,22-dihydroporphyrin

Systemtic Name: 5-(4-iodophenyl)-10,15,20-tri(tridecan-7-yl)-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(1-hexylheptyl)-5-(4-iodophenyl)-21,22-dihydroporphyrin CAS Name: 5-(4-iodophenyl)-10,15,20-tri(tridecan-7-yl)-21,22-dihydroporphyrin IUPAC Name: 5-(4-iodophenyl)-10,15,20-tri(tridecan-7-yl)-21,22-dihydroporphyrin Traditional Name: 10,15,20-tris(1-hexylheptyl)-5-(4-iodophenyl)-21,22-dihydroporphine Formula: C65H95IN4 MolecularWeight: 1060.373725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)C6=CC=C(C=C6)I)N2

Isomeric SMILES

CCCCCCC(CCCCCC)C1=C2C=CC(=[13C](C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)C6=CC=C(C=C6)I)N2

InChI

InChI=1S/C65H95IN4/c1-7-13-19-25-31-49(32-26-20-14-8-2)62-54-41-43-56(67-54)63(50(33-27-21-15-9-3)34-28-22-16-10-4)58-45-47-60(69-58)65(52-37-39-53(66)40-38-52)61-48-46-59(70-61)64(57-44-42-55(62)68-57)51(35-29-23-17-11-5)36-30-24-18-12-6/h37-51,69-70H,7-36H2,1-6H3/i65+1