4,7-bis[5-(7-carbazol-9-yl-9,9-dioctyl-fluoren-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole

Systemtic Name: 4,7-bis[5-(7-carbazol-9-yl-9,9-dioctyl-fluoren-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole Openeye Name: 4,7-bis[5-(7-carbazol-9-yl-9,9-dioctyl-fluoren-2-yl)-2-thienyl]-2,1,3-benzothiadiazole CAS Name: 4,7-bis[5-[7-(9-carbazolyl)-9,9-dioctyl-2-fluorenyl]-2-thiophenyl]-2,1,3-benzothiadiazole IUPAC Name: 4,7-bis[5-(7-carbazol-9-yl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole Traditional Name: 4,7-bis[5-(7-carbazol-9-yl-9,9-dioctyl-fluoren-2-yl)-2-thienyl]piazthiole Formula: C96H102N4S3 MolecularWeight: 1408.05888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC=C(S3)C4=CC=C(C5=NSN=C45)C6=CC=C(S6)C7=CC8=C(C=C7)C9=C(C8(CCCCCCCC)CCCCCCCC)C=C(C=C9)N2C3=CC=CC=C3C3=CC=CC=C32)C2=C1C=C(C=C2)N1C2=CC=CC=C2C2=CC=CC=C21)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC=C(S3)C4=CC=C(C5=NSN=C45)C6=CC=C(S6)C7=CC8=C(C=C7)C9=C(C8(CCCCCCCC)CCCCCCCC)C=C(C=C9)N2C3=CC=CC=C3C3=CC=CC=C32)C2=C1C=C(C=C2)N1C2=CC=CC=C2C2=CC=CC=C21)CCCCCCCC

InChI

InChI=1S/C96H102N4S3/c1-5-9-13-17-21-33-59-95(60-34-22-18-14-10-6-2)81-63-67(45-49-71(81)73-51-47-69(65-83(73)95)99-85-41-29-25-37-75(85)76-38-26-30-42-86(76)99)89-55-57-91(101-89)79-53-54-80(94-93(79)97-103-98-94)92-58-56-90(102-92)68-46-50-72-74-52-48-70(100-87-43-31-27-39-77(87)78-40-28-32-44-88(78)100)66-84(74)96(82(72)64-68,61-35-23-19-15-11-7-3)62-36-24-20-16-12-8-4/h25-32,37-58,63-66H,5-24,33-36,59-62H2,1-4H3