2,5-bis[(9-octylcarbazol-3-yl)amino]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis[(9-octylcarbazol-3-yl)amino]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis[(9-octylcarbazol-3-yl)amino]-1,4-benzoquinone CAS Name: 2,5-bis[(9-octyl-3-carbazolyl)amino]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis[(9-octylcarbazol-3-yl)amino]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-bis[(9-octylcarbazol-3-yl)amino]-p-benzoquinone Formula: C46H52N4O2 MolecularWeight: 692.93068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=C(C=C2)NC3=CC(=O)C(=CC3=O)NC4=CC5=C(C=C4)N(C6=CC=CC=C65)CCCCCCCC)C7=CC=CC=C71

Isomeric SMILES

CCCCCCCCN1C2=C(C=C(C=C2)NC3=CC(=O)C(=CC3=O)NC4=CC5=C(C=C4)N(C6=CC=CC=C65)CCCCCCCC)C7=CC=CC=C71

InChI

InChI=1S/C46H52N4O2/c1-3-5-7-9-11-17-27-49-41-21-15-13-19-35(41)37-29-33(23-25-43(37)49)47-39-31-46(52)40(32-45(39)51)48-34-24-26-44-38(30-34)36-20-14-16-22-42(36)50(44)28-18-12-10-8-6-4-2/h13-16,19-26,29-32,47-48H,3-12,17-18,27-28H2,1-2H3