N-(4-methoxyphenyl)-N-pyren-1-yl-pyren-1-amine

Systemtic Name: N-(4-methoxyphenyl)-N-pyren-1-yl-pyren-1-amine Openeye Name: N-(4-methoxyphenyl)-N-pyren-1-yl-pyren-1-amine CAS Name: N-(4-methoxyphenyl)-N-(1-pyrenyl)-1-pyrenamine IUPAC Name: N-(4-methoxyphenyl)-N-pyren-1-ylpyren-1-amine Traditional Name: (4-methoxyphenyl)-di(pyren-1-yl)amine Formula: C39H25NO MolecularWeight: 523.6219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

Isomeric SMILES

COC1=CC=C(C=C1)N(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

InChI

InChI=1S/C39H25NO/c1-41-31-18-16-30(17-19-31)40(34-22-14-28-10-8-24-4-2-6-26-12-20-32(34)38(28)36(24)26)35-23-15-29-11-9-25-5-3-7-27-13-21-33(35)39(29)37(25)27/h2-23H,1H3