3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole

Systemtic Name: 3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole Openeye Name: 3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole CAS Name: 3-(3,5-ditert-butylphenyl)-5-(1-pyrenyl)-1,2,4-oxadiazole IUPAC Name: 3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole Traditional Name: 3-(3,5-ditert-butylphenyl)-5-pyren-1-yl-1,2,4-oxadiazole Formula: C32H30N2O MolecularWeight: 458.5934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=NOC(=N2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=NOC(=N2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C(C)(C)C

InChI

InChI=1S/C32H30N2O/c1-31(2,3)23-16-22(17-24(18-23)32(4,5)6)29-33-30(35-34-29)26-15-13-21-11-10-19-8-7-9-20-12-14-25(26)28(21)27(19)20/h7-18H,1-6H3