N-phenyl-5-pyren-2-yl-2-(4-pyren-2-ylphenyl)aniline

Systemtic Name: N-phenyl-5-pyren-2-yl-2-(4-pyren-2-ylphenyl)aniline Openeye Name: N-phenyl-5-pyren-2-yl-2-(4-pyren-2-ylphenyl)aniline CAS Name: N-phenyl-5-(2-pyrenyl)-2-[4-(2-pyrenyl)phenyl]aniline IUPAC Name: N-phenyl-5-pyren-2-yl-2-(4-pyren-2-ylphenyl)aniline Traditional Name: phenyl-[5-pyren-2-yl-2-(4-pyren-2-ylphenyl)phenyl]amine Formula: C50H31N MolecularWeight: 645.78784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=CC(=C2)C3=CC4=C5C(=C3)C=CC6=C5C(=CC=C6)C=C4)C7=CC=C(C=C7)C8=CC9=C1C(=C8)C=CC2=C1C(=CC=C2)C=C9

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=CC(=C2)C3=CC4=C5C(=C3)C=CC6=C5C(=CC=C6)C=C4)C7=CC=C(C=C7)C8=CC9=C1C(=C8)C=CC2=C1C(=CC=C2)C=C9

InChI

InChI=1S/C50H31N/c1-2-10-44(11-3-1)51-46-30-37(43-28-40-22-18-35-8-5-9-36-19-23-41(29-43)50(40)48(35)36)24-25-45(46)32-14-12-31(13-15-32)42-26-38-20-16-33-6-4-7-34-17-21-39(27-42)49(38)47(33)34/h1-30,51H