1,4-bis(3,5-ditert-butylphenyl)-2,5-dimethyl-pyrrolo[3,4-c]pyrrole-3,6-dione

Systemtic Name: 1,4-bis(3,5-ditert-butylphenyl)-2,5-dimethyl-pyrrolo[3,4-c]pyrrole-3,6-dione Openeye Name: 1,4-bis(3,5-ditert-butylphenyl)-2,5-dimethyl-pyrrolo[3,4-c]pyrrole-3,6-dione CAS Name: 1,4-bis(3,5-ditert-butylphenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione IUPAC Name: 1,4-bis(3,5-ditert-butylphenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione Traditional Name: 1,4-bis(3,5-ditert-butylphenyl)-2,5-dimethyl-pyrrolo[3,4-c]pyrrole-3,6-quinone Formula: C36H48N2O2 MolecularWeight: 540.77852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C(=C(N(C3=O)C)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C(=O)N2C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C(=C(N(C3=O)C)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C(=O)N2C)C(C)(C)C

InChI

InChI=1S/C36H48N2O2/c1-33(2,3)23-15-21(16-24(19-23)34(4,5)6)29-27-28(32(40)37(29)13)30(38(14)31(27)39)22-17-25(35(7,8)9)20-26(18-22)36(10,11)12/h15-20H,1-14H3