3-[7-[3-(diphenylamino)phenyl]pyren-2-yl]-N,N-diphenyl-aniline

Systemtic Name: 3-[7-[3-(diphenylamino)phenyl]pyren-2-yl]-N,N-diphenyl-aniline Openeye Name: N,N-diphenyl-3-[7-[3-(N-phenylanilino)phenyl]pyren-2-yl]aniline CAS Name: N,N-diphenyl-3-[7-[3-(N-phenylanilino)phenyl]-2-pyrenyl]aniline IUPAC Name: N,N-diphenyl-3-[7-[3-(N-phenylanilino)phenyl]pyren-2-yl]aniline Traditional Name: diphenyl-[3-[7-[3-(N-phenylanilino)phenyl]pyren-2-yl]phenyl]amine Formula: C52H36N2 MolecularWeight: 688.85564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC(=C3)C4=CC5=C6C(=C4)C=CC7=CC(=CC(=C76)C=C5)C8=CC(=CC=C8)N(C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC(=C3)C4=CC5=C6C(=C4)C=CC7=CC(=CC(=C76)C=C5)C8=CC(=CC=C8)N(C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C52H36N2/c1-5-17-45(18-6-1)53(46-19-7-2-8-20-46)49-25-13-15-37(35-49)43-31-39-27-29-41-33-44(34-42-30-28-40(32-43)51(39)52(41)42)38-16-14-26-50(36-38)54(47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-36H