2,5-bis[7-bromanyl-9,9-bis(2-ethylhexyl)fluoren-2-yl]-1,3,4-oxadiazole

Systemtic Name: 2,5-bis[7-bromanyl-9,9-bis(2-ethylhexyl)fluoren-2-yl]-1,3,4-oxadiazole Openeye Name: 2,5-bis[7-bromo-9,9-bis(2-ethylhexyl)fluoren-2-yl]-1,3,4-oxadiazole CAS Name: 2,5-bis[7-bromo-9,9-bis(2-ethylhexyl)-2-fluorenyl]-1,3,4-oxadiazole IUPAC Name: 2,5-bis[7-bromo-9,9-bis(2-ethylhexyl)fluoren-2-yl]-1,3,4-oxadiazole Traditional Name: 2,5-bis[7-bromo-9,9-bis(2-ethylhexyl)fluoren-2-yl]-1,3,4-oxadiazole Formula: C60H80Br2N2O MolecularWeight: 1005.098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1(C2=C(C=CC(=C2)C3=NN=C(O3)C4=CC5=C(C=C4)C6=C(C5(CC(CC)CCCC)CC(CC)CCCC)C=C(C=C6)Br)C7=C1C=C(C=C7)Br)CC(CC)CCCC

Isomeric SMILES

CCCCC(CC)CC1(C2=C(C=CC(=C2)C3=NN=C(O3)C4=CC5=C(C=C4)C6=C(C5(CC(CC)CCCC)CC(CC)CCCC)C=C(C=C6)Br)C7=C1C=C(C=C7)Br)CC(CC)CCCC

InChI

InChI=1S/C60H80Br2N2O/c1-9-17-21-41(13-5)37-59(38-42(14-6)22-18-10-2)53-33-45(25-29-49(53)51-31-27-47(61)35-55(51)59)57-63-64-58(65-57)46-26-30-50-52-32-28-48(62)36-56(52)60(54(50)34-46,39-43(15-7)23-19-11-3)40-44(16-8)24-20-12-4/h25-36,41-44H,9-24,37-40H2,1-8H3