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

Systemtic Name: 15-(4-butoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-(4-butoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-(4-butoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-(4-butoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-(4-butoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphine Formula: C48H38N4O MolecularWeight: 686.84152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C48H38N4O/c1-2-3-31-53-36-21-19-35(20-22-36)48-43-29-27-41(51-43)46(33-15-9-5-10-16-33)39-25-23-37(49-39)45(32-13-7-4-8-14-32)38-24-26-40(50-38)47(34-17-11-6-12-18-34)42-28-30-44(48)52-42/h4-30,49-50H,2-3,31H2,1H3