N1,N1,N8,N8-tetrakis(4-phenoxyphenyl)phenanthrene-1,8-diamine

Systemtic Name: N1,N1,N8,N8-tetrakis(4-phenoxyphenyl)phenanthrene-1,8-diamine Openeye Name: N1,N1,N8,N8-tetrakis(4-phenoxyphenyl)phenanthrene-1,8-diamine CAS Name: N1,N1,N8,N8-tetrakis(4-phenoxyphenyl)phenanthrene-1,8-diamine IUPAC Name: 1-N,1-N,8-N,8-N-tetrakis(4-phenoxyphenyl)phenanthrene-1,8-diamine Traditional Name: [8-(4-phenoxy-N-(4-phenoxyphenyl)anilino)-1-phenanthryl]-bis(4-phenoxyphenyl)amine Formula: C62H44N2O4 MolecularWeight: 881.02376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N(C3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC6=C5C=CC7=C6C=CC=C7N(C8=CC=C(C=C8)OC9=CC=CC=C9)C1=CC=C(C=C1)OC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N(C3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC6=C5C=CC7=C6C=CC=C7N(C8=CC=C(C=C8)OC9=CC=CC=C9)C1=CC=C(C=C1)OC1=CC=CC=C1

InChI

InChI=1S/C62H44N2O4/c1-5-15-49(16-6-1)65-53-35-27-45(28-36-53)63(46-29-37-54(38-30-46)66-50-17-7-2-8-18-50)61-25-13-23-57-58-24-14-26-62(60(58)44-43-59(57)61)64(47-31-39-55(40-32-47)67-51-19-9-3-10-20-51)48-33-41-56(42-34-48)68-52-21-11-4-12-22-52/h1-44H