N9,N9,N10,N10-tetrakis[4-(phenoxymethyl)phenyl]anthracene-9,10-diamine

Systemtic Name: N9,N9,N10,N10-tetrakis[4-(phenoxymethyl)phenyl]anthracene-9,10-diamine Openeye Name: N9,N9,N10,N10-tetrakis[4-(phenoxymethyl)phenyl]anthracene-9,10-diamine CAS Name: N9,N9,N10,N10-tetrakis[4-(phenoxymethyl)phenyl]anthracene-9,10-diamine IUPAC Name: 9-N,9-N,10-N,10-N-tetrakis[4-(phenoxymethyl)phenyl]anthracene-9,10-diamine Traditional Name: [10-[4-(phenoxymethyl)-N-[4-(phenoxymethyl)phenyl]anilino]-9-anthryl]-bis[4-(phenoxymethyl)phenyl]amine Formula: C66H52N2O4 MolecularWeight: 937.13008

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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=C6C=CC=CC6=C(C7=CC=CC=C75)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=C6C=CC=CC6=C(C7=CC=CC=C75)N(C8=CC=C(C=C8)COC9=CC=CC=C9)C1=CC=C(C=C1)COC1=CC=CC=C1

InChI

InChI=1S/C66H52N2O4/c1-5-17-57(18-6-1)69-45-49-29-37-53(38-30-49)67(54-39-31-50(32-40-54)46-70-58-19-7-2-8-20-58)65-61-25-13-15-27-63(61)66(64-28-16-14-26-62(64)65)68(55-41-33-51(34-42-55)47-71-59-21-9-3-10-22-59)56-43-35-52(36-44-56)48-72-60-23-11-4-12-24-60/h1-44H,45-48H2