2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

C₄₃H₂₅F₁₀N₃O — CID 142301722

About 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 142301722) has the molecular formula C₄₃H₂₅F₁₀N₃O and a molecular weight of 789.67 g/mol. Its IUPAC name is 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
• PubChem CID: 142301722
• Molecular Formula: C₄₃H₂₅F₁₀N₃O
• Molecular Weight: 789.67 g/mol
• Exact Mass: 789.18
• IUPAC Name: 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
• SMILES: Cc1ccc(-c2nnc(-c3ccc(-n4c5cc(F)ccc5c5ccc(C(F)(F)F)cc54)cc3)o2)cc1.FC(F)(F)c1ccc2c(c1)Cc1cc(C(F)(F)F)ccc1-2
• InChI: InChI=1S/C28H17F4N3O.C15H8F6/c1-16-2-4-17(5-3-16)26-33-34-27(36-26)18-6-10-21(11-7-18)35-24-14-19(28(30,31)32)8-12-22(24)23-13-9-20(29)15-25(23)35;16-14(17,18)10-1-3-12-8(6-10)5-9-7-11(15(19,20)21)2-4-13(9)12/h2-15H,1H3;1-4,6-7H,5H2
• InChIKey: SITAYXJCTZXBPM-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.67
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?

The IUPAC name of 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 142301722) is 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

What is the SMILES notation for 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?

The canonical SMILES for 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3ccc(-n4c5cc(F)ccc5c5ccc(C(F)(F)F)cc54)cc3)o2)cc1.FC(F)(F)c1ccc2c(c1)Cc1cc(C(F)(F)F)ccc1-2.

What is the InChIKey of 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?

The InChIKey is SITAYXJCTZXBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F4N3O.C15H8F6/c1-16-2-4-17(5-3-16)26-33-34-27(36-26)18-6-10-21(11-7-18)35-24-14-19(28(30,31)32)8-12-22(24)23-13-9-20(29)15-25(23)35;16-14(17,18)10-1-3-12-8(6-10)5-9-7-11(15(19,20)21)2-4-13(9)12/h2-15H,1H3;1-4,6-7H,5H2.

What are the key properties of 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?

2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 789.67 g/mol, XLogP of 13.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 142301722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142301722 — identifiers, structure, computed properties (public domain)

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