5-(5-methoxy-6-tridecyl-pyridin-3-yl)-10,15,20-tripyridin-3-yl-21,22-dihydroporphyrin

Systemtic Name: 5-(5-methoxy-6-tridecyl-pyridin-3-yl)-10,15,20-tripyridin-3-yl-21,22-dihydroporphyrin Openeye Name: 5-(5-methoxy-6-tridecyl-3-pyridyl)-10,15,20-tris(3-pyridyl)-21,22-dihydroporphyrin CAS Name: 5-(5-methoxy-6-tridecyl-3-pyridinyl)-10,15,20-tris(3-pyridinyl)-21,22-dihydroporphyrin IUPAC Name: 5-(5-methoxy-6-tridecylpyridin-3-yl)-10,15,20-tripyridin-3-yl-21,22-dihydroporphyrin Traditional Name: 5-(5-methoxy-6-tridecyl-3-pyridyl)-10,15,20-tris(3-pyridyl)-21,22-dihydroporphine Formula: C54H54N8O MolecularWeight: 831.05956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=C(C=C(C=N1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CN=CC=C7)C=C5)C8=CN=CC=C8)C=C4)C9=CN=CC=C9)N3)OC

Isomeric SMILES

CCCCCCCCCCCCCC1=C(C=C(C=N1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CN=CC=C7)C=C5)C8=CN=CC=C8)C=C4)C9=CN=CC=C9)N3)OC

InChI

InChI=1S/C54H54N8O/c1-3-4-5-6-7-8-9-10-11-12-13-20-41-50(63-2)32-40(36-58-41)54-48-27-25-46(61-48)52(38-18-15-30-56-34-38)44-23-21-42(59-44)51(37-17-14-29-55-33-37)43-22-24-45(60-43)53(39-19-16-31-57-35-39)47-26-28-49(54)62-47/h14-19,21-36,61-62H,3-13,20H2,1-2H3