5,10,15,20-tetrakis(4-dodecylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-dodecylphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(4-dodecylphenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(4-dodecylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(4-dodecylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(4-laurylphenyl)-21,22-dihydroporphine Formula: C92H126N4 MolecularWeight: 1288.01164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CCCCCCCCCCCC)C8=CC=C(C=C8)CCCCCCCCCCCC)C9=CC=C(C=C9)CCCCCCCCCCCC)N3

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CCCCCCCCCCCC)C8=CC=C(C=C8)CCCCCCCCCCCC)C9=CC=C(C=C9)CCCCCCCCCCCC)N3

InChI

InChI=1S/C92H126N4/c1-5-9-13-17-21-25-29-33-37-41-45-73-49-57-77(58-50-73)89-81-65-67-83(93-81)90(78-59-51-74(52-60-78)46-42-38-34-30-26-22-18-14-10-6-2)85-69-71-87(95-85)92(80-63-55-76(56-64-80)48-44-40-36-32-28-24-20-16-12-8-4)88-72-70-86(96-88)91(84-68-66-82(89)94-84)79-61-53-75(54-62-79)47-43-39-35-31-27-23-19-15-11-7-3/h49-72,93-94H,5-48H2,1-4H3