4-[(4-methylphenyl)-pyren-1-yl-amino]benzaldehyde

Systemtic Name: 4-[(4-methylphenyl)-pyren-1-yl-amino]benzaldehyde Openeye Name: 4-(4-methyl-N-pyren-1-yl-anilino)benzaldehyde CAS Name: 4-[4-methyl-N-(1-pyrenyl)anilino]benzaldehyde IUPAC Name: 4-(4-methyl-N-pyren-1-ylanilino)benzaldehyde Traditional Name: 4-(4-methyl-N-pyren-1-yl-anilino)benzaldehyde Formula: C30H21NO MolecularWeight: 411.49384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C30H21NO/c1-20-5-13-25(14-6-20)31(26-15-7-21(19-32)8-16-26)28-18-12-24-10-9-22-3-2-4-23-11-17-27(28)30(24)29(22)23/h2-19H,1H3