15-(4-octoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-(4-octoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-(4-octoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-(4-octoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-(4-octoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-(4-octoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphine Formula: C52H46N4O MolecularWeight: 742.94784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

InChI

InChI=1S/C52H46N4O/c1-2-3-4-5-6-16-35-57-40-25-23-39(24-26-40)52-47-33-31-45(55-47)50(37-19-12-8-13-20-37)43-29-27-41(53-43)49(36-17-10-7-11-18-36)42-28-30-44(54-42)51(38-21-14-9-15-22-38)46-32-34-48(52)56-46/h7-15,17-34,53-54H,2-6,16,35H2,1H3