N-(4-anthracen-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-pyren-1-yl-aniline

Systemtic Name: N-(4-anthracen-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-pyren-1-yl-aniline Openeye Name: N-[4-(9-anthryl)phenyl]-N-[4-(9-phenanthryl)phenyl]-4-pyren-1-yl-aniline CAS Name: N-[4-(9-anthracenyl)phenyl]-N-[4-(9-phenanthrenyl)phenyl]-4-(1-pyrenyl)aniline IUPAC Name: N-(4-anthracen-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-pyren-1-ylaniline Traditional Name: [4-(9-anthryl)phenyl]-[4-(9-phenanthryl)phenyl]-(4-pyren-1-ylphenyl)amine Formula: C62H39N MolecularWeight: 797.97976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC=C(C=C4)N(C5=CC=C(C=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=CC=C(C=C1)C1=CC2=CC=CC=C2C2=CC=CC=C21

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC=C(C=C4)N(C5=CC=C(C=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=CC=C(C=C1)C1=CC2=CC=CC=C2C2=CC=CC=C21

InChI

InChI=1S/C62H39N/c1-4-15-52-48(12-1)39-59(57-19-8-7-18-56(52)57)41-24-32-50(33-25-41)63(51-34-26-44(27-35-51)61-54-16-5-2-10-46(54)38-47-11-3-6-17-55(47)61)49-30-22-40(23-31-49)53-36-28-45-21-20-42-13-9-14-43-29-37-58(53)62(45)60(42)43/h1-39H