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

Systemtic Name: 2,5-bis[(2-octoxy-9-octyl-carbazol-3-yl)amino]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis[(2-octoxy-9-octyl-carbazol-3-yl)amino]-1,4-benzoquinone CAS Name: 2,5-bis[(2-octoxy-9-octyl-3-carbazolyl)amino]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis[(2-octoxy-9-octylcarbazol-3-yl)amino]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-bis[(2-octoxy-9-octyl-carbazol-3-yl)amino]-p-benzoquinone Formula: C62H84N4O4 MolecularWeight: 949.35476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2C3=CC(=C(C=C31)OCCCCCCCC)NC4=CC(=O)C(=CC4=O)NC5=C(C=C6C(=C5)C7=CC=CC=C7N6CCCCCCCC)OCCCCCCCC

Isomeric SMILES

CCCCCCCCN1C2=CC=CC=C2C3=CC(=C(C=C31)OCCCCCCCC)NC4=CC(=O)C(=CC4=O)NC5=C(C=C6C(=C5)C7=CC=CC=C7N6CCCCCCCC)OCCCCCCCC

InChI

InChI=1S/C62H84N4O4/c1-5-9-13-17-21-29-37-65-55-35-27-25-33-47(55)49-41-53(61(45-57(49)65)69-39-31-23-19-15-11-7-3)63-51-43-60(68)52(44-59(51)67)64-54-42-50-48-34-26-28-36-56(48)66(38-30-22-18-14-10-6-2)58(50)46-62(54)70-40-32-24-20-16-12-8-4/h25-28,33-36,41-46,63-64H,5-24,29-32,37-40H2,1-4H3