2,6-bis[2-[4-(dihexylamino)phenyl]ethynyl]anthracene-9,10-dione

Systemtic Name: 2,6-bis[2-[4-(dihexylamino)phenyl]ethynyl]anthracene-9,10-dione Openeye Name: 2,6-bis[2-[4-(dihexylamino)phenyl]ethynyl]anthracene-9,10-dione CAS Name: 2,6-bis[2-[4-(dihexylamino)phenyl]ethynyl]anthracene-9,10-dione IUPAC Name: 2,6-bis[2-[4-(dihexylamino)phenyl]ethynyl]anthracene-9,10-dione Traditional Name: 2,6-bis[2-[4-(dihexylamino)phenyl]ethynyl]-9,10-anthraquinone Formula: C54H66N2O2 MolecularWeight: 775.11404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)C#CC5=CC=C(C=C5)N(CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)C#CC5=CC=C(C=C5)N(CCCCCC)CCCCCC

InChI

InChI=1S/C54H66N2O2/c1-5-9-13-17-37-55(38-18-14-10-6-2)47-31-25-43(26-32-47)21-23-45-29-35-49-51(41-45)53(57)50-36-30-46(42-52(50)54(49)58)24-22-44-27-33-48(34-28-44)56(39-19-15-11-7-3)40-20-16-12-8-4/h25-36,41-42H,5-20,37-40H2,1-4H3