(3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromanyl-2-oxidanyl-phenyl)-2-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone

Systemtic Name: (3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromanyl-2-oxidanyl-phenyl)-2-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Openeye Name: (3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromo-2-hydroxy-phenyl)-2-[4-(4-dimethylaminophenyl)azophenyl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone CAS Name: (3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromo-2-hydroxyphenyl)-2-[4-(4-dimethylaminophenyl)azophenyl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone IUPAC Name: (3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromo-2-hydroxyphenyl)-2-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Traditional Name: (3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromo-2-hydroxy-phenyl)-2-[4-(4-dimethylaminophenyl)azophenyl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C48H39BrN4O5 MolecularWeight: 831.75106

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)C4CC=C5C(C4C3=O)CC6C(=O)C(=CC(=O)C6(C5C7=C(C=CC(=C7)Br)O)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)C(=CC(=O)[C@]6([C@H]5C7=C(C=CC(=C7)Br)O)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C48H39BrN4O5/c1-52(2)33-18-14-31(15-19-33)50-51-32-16-20-34(21-17-32)53-46(57)36-23-22-35-38(43(36)47(53)58)26-40-45(56)37(28-9-5-3-6-10-28)27-42(55)48(40,29-11-7-4-8-12-29)44(35)39-25-30(49)13-24-41(39)54/h3-22,24-25,27,36,38,40,43-44,54H,23,26H2,1-2H3/t36-,38+,40-,43-,44+,48-/m0/s1