15-(4-dodecoxy-3-methoxy-phenyl)-5,10,20-tripyridin-3-yl-21,22-dihydroporphyrin

Systemtic Name: 15-(4-dodecoxy-3-methoxy-phenyl)-5,10,20-tripyridin-3-yl-21,22-dihydroporphyrin Openeye Name: 15-(4-dodecoxy-3-methoxy-phenyl)-5,10,20-tris(3-pyridyl)-21,22-dihydroporphyrin CAS Name: 15-(4-dodecoxy-3-methoxyphenyl)-5,10,20-tris(3-pyridinyl)-21,22-dihydroporphyrin IUPAC Name: 15-(4-dodecoxy-3-methoxyphenyl)-5,10,20-tripyridin-3-yl-21,22-dihydroporphyrin Traditional Name: 15-(4-lauryloxy-3-methoxy-phenyl)-5,10,20-tris(3-pyridyl)-21,22-dihydroporphine Formula: C54H53N7O2 MolecularWeight: 832.04432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CN=CC=C7)C8=CN=CC=C8)N4)C9=CN=CC=C9)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CN=CC=C7)C8=CN=CC=C8)N4)C9=CN=CC=C9)OC

InChI

InChI=1S/C54H53N7O2/c1-3-4-5-6-7-8-9-10-11-12-32-63-49-28-19-37(33-50(49)62-2)51-41-20-22-43(58-41)52(38-16-13-29-55-34-38)45-24-26-47(60-45)54(40-18-15-31-57-36-40)48-27-25-46(61-48)53(39-17-14-30-56-35-39)44-23-21-42(51)59-44/h13-31,33-36,60-61H,3-12,32H2,1-2H3