2-(9,9-dihexyl-7-thiophen-2-yl-fluoren-2-yl)-9-(phenylsulfonyl)thieno[2,3-b]carbazole

Systemtic Name: 2-(9,9-dihexyl-7-thiophen-2-yl-fluoren-2-yl)-9-(phenylsulfonyl)thieno[2,3-b]carbazole Openeye Name: 9-(benzenesulfonyl)-2-[9,9-dihexyl-7-(2-thienyl)fluoren-2-yl]thieno[2,3-b]carbazole CAS Name: 9-(benzenesulfonyl)-2-(9,9-dihexyl-7-thiophen-2-yl-2-fluorenyl)thieno[2,3-b]carbazole IUPAC Name: 9-(benzenesulfonyl)-2-(9,9-dihexyl-7-thiophen-2-ylfluoren-2-yl)thieno[2,3-b]carbazole Traditional Name: 9-besyl-2-[9,9-dihexyl-7-(2-thienyl)fluoren-2-yl]thieno[2,3-b]carbazole Formula: C49H47NO2S3 MolecularWeight: 778.09798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C2=C(C=CC(=C2)C3=CC=CS3)C4=C1C=C(C=C4)C5=CC6=CC7=C(C=C6S5)N(C8=CC=CC=C87)S(=O)(=O)C9=CC=CC=C9)CCCCCC

Isomeric SMILES

CCCCCCC1(C2=C(C=CC(=C2)C3=CC=CS3)C4=C1C=C(C=C4)C5=CC6=CC7=C(C=C6S5)N(C8=CC=CC=C87)S(=O)(=O)C9=CC=CC=C9)CCCCCC

InChI

InChI=1S/C49H47NO2S3/c1-3-5-7-14-26-49(27-15-8-6-4-2)42-30-34(46-21-16-28-53-46)22-24-38(42)39-25-23-35(31-43(39)49)47-32-36-29-41-40-19-12-13-20-44(40)50(45(41)33-48(36)54-47)55(51,52)37-17-10-9-11-18-37/h9-13,16-25,28-33H,3-8,14-15,26-27H2,1-2H3