1-methyl-3,4-bis[4-[naphthalen-1-yl(phenyl)amino]phenyl]pyrrole-2,5-dione

Systemtic Name: 1-methyl-3,4-bis[4-[naphthalen-1-yl(phenyl)amino]phenyl]pyrrole-2,5-dione Openeye Name: 1-methyl-3,4-bis[4-[N-(1-naphthyl)anilino]phenyl]pyrrole-2,5-dione CAS Name: 1-methyl-3,4-bis[4-[N-(1-naphthalenyl)anilino]phenyl]pyrrole-2,5-dione IUPAC Name: 1-methyl-3,4-bis[4-(N-naphthalen-1-ylanilino)phenyl]pyrrole-2,5-dione Traditional Name: 1-methyl-3,4-bis[4-[N-(1-naphthyl)anilino]phenyl]-3-pyrroline-2,5-quinone Formula: C49H35N3O2 MolecularWeight: 697.8211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C1=O)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC9=CC=CC=C98

Isomeric SMILES

CN1C(=O)C(=C(C1=O)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC9=CC=CC=C98

InChI

InChI=1S/C49H35N3O2/c1-50-48(53)46(36-26-30-40(31-27-36)51(38-18-4-2-5-19-38)44-24-12-16-34-14-8-10-22-42(34)44)47(49(50)54)37-28-32-41(33-29-37)52(39-20-6-3-7-21-39)45-25-13-17-35-15-9-11-23-43(35)45/h2-33H,1H3