N9,N9,N10,N10-tetrakis[4-(8-phenyloctoxy)phenyl]anthracene-9,10-diamine

Systemtic Name: N9,N9,N10,N10-tetrakis[4-(8-phenyloctoxy)phenyl]anthracene-9,10-diamine Openeye Name: N9,N9,N10,N10-tetrakis[4-(8-phenyloctoxy)phenyl]anthracene-9,10-diamine CAS Name: N9,N9,N10,N10-tetrakis[4-(8-phenyloctoxy)phenyl]anthracene-9,10-diamine IUPAC Name: 9-N,9-N,10-N,10-N-tetrakis[4-(8-phenyloctoxy)phenyl]anthracene-9,10-diamine Traditional Name: bis[4-(8-phenyloctoxy)phenyl]-[10-[4-(8-phenyloctoxy)-N-[4-(8-phenyloctoxy)phenyl]anilino]-9-anthryl]amine Formula: C94H108N2O4 MolecularWeight: 1329.87432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCOC2=CC=C(C=C2)N(C3=CC=C(C=C3)OCCCCCCCCC4=CC=CC=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)N(C8=CC=C(C=C8)OCCCCCCCCC9=CC=CC=C9)C1=CC=C(C=C1)OCCCCCCCCC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCOC2=CC=C(C=C2)N(C3=CC=C(C=C3)OCCCCCCCCC4=CC=CC=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)N(C8=CC=C(C=C8)OCCCCCCCCC9=CC=CC=C9)C1=CC=C(C=C1)OCCCCCCCCC1=CC=CC=C1

InChI

InChI=1S/C94H108N2O4/c1(9-21-41-77-45-25-17-26-46-77)5-13-37-73-97-85-65-57-81(58-66-85)95(82-59-67-86(68-60-82)98-74-38-14-6-2-10-22-42-78-47-27-18-28-48-78)93-89-53-33-35-55-91(89)94(92-56-36-34-54-90(92)93)96(83-61-69-87(70-62-83)99-75-39-15-7-3-11-23-43-79-49-29-19-30-50-79)84-63-71-88(72-64-84)100-76-40-16-8-4-12-24-44-80-51-31-20-32-52-80/h17-20,25-36,45-72H,1-16,21-24,37-44,73-76H2