2,5-diethyl-1,4-di(pyren-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione

Systemtic Name: 2,5-diethyl-1,4-di(pyren-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione Openeye Name: 2,5-diethyl-1,4-di(pyren-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione CAS Name: 2,5-diethyl-1,4-bis(4-pyrenyl)pyrrolo[3,4-c]pyrrole-3,6-dione IUPAC Name: 2,5-diethyl-1,4-di(pyren-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione Traditional Name: 2,5-diethyl-1,4-di(pyren-4-yl)pyrrolo[3,4-c]pyrrole-3,6-quinone Formula: C42H28N2O2 MolecularWeight: 592.68392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C(=C(N(C2=O)CC)C3=CC4=CC=CC5=C4C6=C(C=CC=C36)C=C5)C1=O)C7=CC8=CC=CC9=C8C1=C(C=CC=C71)C=C9

Isomeric SMILES

CCN1C(=C2C(=C(N(C2=O)CC)C3=CC4=CC=CC5=C4C6=C(C=CC=C36)C=C5)C1=O)C7=CC8=CC=CC9=C8C1=C(C=CC=C71)C=C9

InChI

InChI=1S/C42H28N2O2/c1-3-43-39(31-21-27-13-5-9-23-17-19-25-11-7-15-29(31)35(25)33(23)27)37-38(41(43)45)40(44(4-2)42(37)46)32-22-28-14-6-10-24-18-20-26-12-8-16-30(32)36(26)34(24)28/h5-22H,3-4H2,1-2H3