2,5-dibutyl-1,4-di(phenanthren-9-yl)pyrrolo[3,4-c]pyrrole-3,6-dione

Systemtic Name: 2,5-dibutyl-1,4-di(phenanthren-9-yl)pyrrolo[3,4-c]pyrrole-3,6-dione Openeye Name: 2,5-dibutyl-1,4-bis(9-phenanthryl)pyrrolo[3,4-c]pyrrole-3,6-dione CAS Name: 2,5-dibutyl-1,4-bis(9-phenanthrenyl)pyrrolo[3,4-c]pyrrole-3,6-dione IUPAC Name: 2,5-dibutyl-1,4-di(phenanthren-9-yl)pyrrolo[3,4-c]pyrrole-3,6-dione Traditional Name: 2,5-dibutyl-1,4-bis(9-phenanthryl)pyrrolo[3,4-c]pyrrole-3,6-quinone Formula: C42H36N2O2 MolecularWeight: 600.74744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2C(=C(N(C2=O)CCCC)C3=CC4=CC=CC=C4C5=CC=CC=C53)C1=O)C6=CC7=CC=CC=C7C8=CC=CC=C86

Isomeric SMILES

CCCCN1C(=C2C(=C(N(C2=O)CCCC)C3=CC4=CC=CC=C4C5=CC=CC=C53)C1=O)C6=CC7=CC=CC=C7C8=CC=CC=C86

InChI

InChI=1S/C42H36N2O2/c1-3-5-23-43-39(35-25-27-15-7-9-17-29(27)31-19-11-13-21-33(31)35)37-38(41(43)45)40(44(42(37)46)24-6-4-2)36-26-28-16-8-10-18-30(28)32-20-12-14-22-34(32)36/h7-22,25-26H,3-6,23-24H2,1-2H3