3,5,8,10-tetrakis[(4-butylphenyl)amino]pyrene-1,6-dione

Systemtic Name: 3,5,8,10-tetrakis[(4-butylphenyl)amino]pyrene-1,6-dione Openeye Name: 3,5,8,10-tetrakis(4-butylanilino)pyrene-1,6-dione CAS Name: 3,5,8,10-tetrakis(4-butylanilino)pyrene-1,6-dione IUPAC Name: 3,5,8,10-tetrakis(4-butylanilino)pyrene-1,6-dione Traditional Name: 3,5,8,10-tetrakis(4-butylanilino)pyrene-1,6-quinone Formula: C56H60N4O2 MolecularWeight: 821.1012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=CC(=O)C3=C(C=C4C(=CC(=O)C5=C(C=C2C3=C45)NC6=CC=C(C=C6)CCCC)NC7=CC=C(C=C7)CCCC)NC8=CC=C(C=C8)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=CC(=O)C3=C(C=C4C(=CC(=O)C5=C(C=C2C3=C45)NC6=CC=C(C=C6)CCCC)NC7=CC=C(C=C7)CCCC)NC8=CC=C(C=C8)CCCC

InChI

InChI=1S/C56H60N4O2/c1-5-9-13-37-17-25-41(26-18-37)57-47-35-51(61)55-50(60-44-31-23-40(24-32-44)16-12-8-4)34-46-48(58-42-27-19-38(20-28-42)14-10-6-2)36-52(62)56-49(33-45(47)53(55)54(46)56)59-43-29-21-39(22-30-43)15-11-7-3/h17-36,57-60H,5-16H2,1-4H3