2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole

C69H78N4O2 — CID 101168888

About 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole

2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 101168888) has the molecular formula C69H78N4O2 and a molecular weight of 995.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole
• PubChem CID: 101168888
• Molecular Formula: C69H78N4O2
• Molecular Weight: 995.41 g/mol
• Exact Mass: 994.61
• IUPAC Name: 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole
• SMILES: CCCCC(CC)CC1(CC(CC)CCCC)c2cc(/C=C/c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)ccc2-c2ccc(/C=C/c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)cc21
• InChI: InChI=1S/C69H78N4O2/c1-11-15-17-47(13-3)45-69(46-48(14-4)18-16-12-2)61-43-51(21-19-49-23-29-53(30-24-49)63-70-72-65(74-63)55-33-37-57(38-34-55)67(5,6)7)27-41-59(61)60-42-28-52(44-62(60)69)22-20-50-25-31-54(32-26-50)64-71-73-66(75-64)56-35-39-58(40-36-56)68(8,9)10/h19-44,47-48H,11-18,45-46H2,1-10H3/b21-19+,22-20+
• InChIKey: YXWNLNOCNMBFJR-FLFKKZLDSA-N
• XLogP: 19.54
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.41
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole (CID 101168888) is 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole is CCCCC(CC)CC1(CC(CC)CCCC)c2cc(/C=C/c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)ccc2-c2ccc(/C=C/c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)cc21.

What is the InChIKey of 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole?

The InChIKey is YXWNLNOCNMBFJR-FLFKKZLDSA-N. The full InChI is InChI=1S/C69H78N4O2/c1-11-15-17-47(13-3)45-69(46-48(14-4)18-16-12-2)61-43-51(21-19-49-23-29-53(30-24-49)63-70-72-65(74-63)55-33-37-57(38-34-55)67(5,6)7)27-41-59(61)60-42-28-52(44-62(60)69)22-20-50-25-31-54(32-26-50)64-71-73-66(75-64)56-35-39-58(40-36-56)68(8,9)10/h19-44,47-48H,11-18,45-46H2,1-10H3/b21-19+,22-20+.

What are the key properties of 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole?

2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 995.41 g/mol, XLogP of 19.54, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 101168888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).