5-ethyl-N1,N1,N3,N3-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine

Systemtic Name: 5-ethyl-N1,N1,N3,N3-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine Openeye Name: 5-ethyl-N1,N1,N3,N3-tetrakis[4-[(E)-styryl]phenyl]benzene-1,3-diamine CAS Name: 5-ethyl-N1,N1,N3,N3-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine IUPAC Name: 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine Traditional Name: [3-ethyl-5-[4-[(E)-styryl]-N-[4-[(E)-styryl]phenyl]anilino]phenyl]-bis[4-[(E)-styryl]phenyl]amine Formula: C64H52N2 MolecularWeight: 849.11108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)N(C2=CC=C(C=C2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)C=CC5=CC=CC=C5)N(C6=CC=C(C=C6)C=CC7=CC=CC=C7)C8=CC=C(C=C8)C=CC9=CC=CC=C9

Isomeric SMILES

CCC1=CC(=CC(=C1)N(C2=CC=C(C=C2)/C=C/C3=CC=CC=C3)C4=CC=C(C=C4)/C=C/C5=CC=CC=C5)N(C6=CC=C(C=C6)/C=C/C7=CC=CC=C7)C8=CC=C(C=C8)/C=C/C9=CC=CC=C9

InChI

InChI=1S/C64H52N2/c1-2-50-47-63(65(59-39-31-55(32-40-59)27-23-51-15-7-3-8-16-51)60-41-33-56(34-42-60)28-24-52-17-9-4-10-18-52)49-64(48-50)66(61-43-35-57(36-44-61)29-25-53-19-11-5-12-20-53)62-45-37-58(38-46-62)30-26-54-21-13-6-14-22-54/h3-49H,2H2,1H3/b27-23+,28-24+,29-25+,30-26+