N3,N3,N8,N8-tetrakis[4-(phenoxymethyl)phenyl]-1,10-phenanthroline-3,8-diamine

Systemtic Name: N3,N3,N8,N8-tetrakis[4-(phenoxymethyl)phenyl]-1,10-phenanthroline-3,8-diamine Openeye Name: N3,N3,N8,N8-tetrakis[4-(phenoxymethyl)phenyl]-1,10-phenanthroline-3,8-diamine CAS Name: N3,N3,N8,N8-tetrakis[4-(phenoxymethyl)phenyl]-1,10-phenanthroline-3,8-diamine IUPAC Name: 3-N,3-N,8-N,8-N-tetrakis[4-(phenoxymethyl)phenyl]-1,10-phenanthroline-3,8-diamine Traditional Name: [8-[4-(phenoxymethyl)-N-[4-(phenoxymethyl)phenyl]anilino]-1,10-phenanthrolin-3-yl]-bis[4-(phenoxymethyl)phenyl]amine Formula: C64H50N4O4 MolecularWeight: 939.1062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=C(C=C2)N(C3=CC=C(C=C3)COC4=CC=CC=C4)C5=CN=C6C(=C5)C=CC7=CC(=CN=C76)N(C8=CC=C(C=C8)COC9=CC=CC=C9)C1=CC=C(C=C1)COC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=C(C=C2)N(C3=CC=C(C=C3)COC4=CC=CC=C4)C5=CN=C6C(=C5)C=CC7=CC(=CN=C76)N(C8=CC=C(C=C8)COC9=CC=CC=C9)C1=CC=C(C=C1)COC1=CC=CC=C1

InChI

InChI=1S/C64H50N4O4/c1-5-13-59(14-6-1)69-43-47-21-31-53(32-22-47)67(54-33-23-48(24-34-54)44-70-60-15-7-2-8-16-60)57-39-51-29-30-52-40-58(42-66-64(52)63(51)65-41-57)68(55-35-25-49(26-36-55)45-71-61-17-9-3-10-18-61)56-37-27-50(28-38-56)46-72-62-19-11-4-12-20-62/h1-42H,43-46H2