N,N-bis(3-methylphenyl)pyren-1-amine

Systemtic Name: N,N-bis(3-methylphenyl)pyren-1-amine Openeye Name: N,N-bis(m-tolyl)pyren-1-amine CAS Name: N,N-bis(3-methylphenyl)-1-pyrenamine IUPAC Name: N,N-bis(3-methylphenyl)pyren-1-amine Traditional Name: bis-m-tolyl(pyren-1-yl)amine Formula: C30H23N MolecularWeight: 397.51032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC(=C6)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC(=C6)C

InChI

InChI=1S/C30H23N/c1-20-6-3-10-25(18-20)31(26-11-4-7-21(2)19-26)28-17-15-24-13-12-22-8-5-9-23-14-16-27(28)30(24)29(22)23/h3-19H,1-2H3