N1,N3-bis(pyren-1-ylmethyl)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(pyren-1-ylmethyl)benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(pyren-1-ylmethyl)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(1-pyrenylmethyl)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(pyren-1-ylmethyl)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(pyren-1-ylmethyl)isophthalamide Formula: C42H28N2O2 MolecularWeight: 592.68392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(=O)C5=CC(=CC=C5)C(=O)NCC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(=O)C5=CC(=CC=C5)C(=O)NCC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

InChI

InChI=1S/C42H28N2O2/c45-41(43-23-33-16-14-29-12-10-25-4-1-6-27-18-20-35(33)39(29)37(25)27)31-8-3-9-32(22-31)42(46)44-24-34-17-15-30-13-11-26-5-2-7-28-19-21-36(34)40(30)38(26)28/h1-22H,23-24H2,(H,43,45)(H,44,46)