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

Systemtic Name: 15-(4-heptoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-(4-heptoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-(4-heptoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-(4-heptoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-(4-heptoxyphenyl)-5,10,20-triphenyl-21,22-dihydroporphine Formula: C51H44N4O MolecularWeight: 728.92126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=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

CCCCCCCOC1=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/C51H44N4O/c1-2-3-4-5-15-34-56-39-24-22-38(23-25-39)51-46-32-30-44(54-46)49(36-18-11-7-12-19-36)42-28-26-40(52-42)48(35-16-9-6-10-17-35)41-27-29-43(53-41)50(37-20-13-8-14-21-37)45-31-33-47(51)55-45/h6-14,16-33,52-53H,2-5,15,34H2,1H3