tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane)

C252H208F56O28 — CID 162096548

About tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane)

tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane) (PubChem CID 162096548) has the molecular formula C252H208F56O28 and a molecular weight of 4748.30 g/mol. Its IUPAC name is tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane).

Molecular Properties

• Compound Name: tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane)
• PubChem CID: 162096548
• Molecular Formula: C252H208F56O28
• Molecular Weight: 4748.30 g/mol
• Exact Mass: 4745.40
• IUPAC Name: tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane)
• SMILES: CCC1CCC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1CCC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1
• InChI: InChI=1S/2C26H22F6O2.4C25H20F6O3.4C25H21F5O3/c2*1-2-14-3-6-24(33-12-14)16-4-5-18(19(27)9-16)17-10-22(30)26(23(31)11-17)34-13-15-7-20(28)25(32)21(29)8-15;4*1-2-13-10-33-25(34-11-13)15-3-4-17(18(26)7-15)16-8-21(29)24(22(30)9-16)32-12-14-5-19(27)23(31)20(28)6-14;4*1-2-14-11-32-25(33-12-14)17-5-3-16(4-6-17)18-9-21(28)24(22(29)10-18)31-13-15-7-19(26)23(30)20(27)8-15/h2*4-5,7-11,14,24H,2-3,6,12-13H2,1H3;4*3-9,13,25H,2,10-12H2,1H3;4*3-10,14,25H,2,11-13H2,1H3
• InChIKey: ZEIBJXJLDVAQMF-UHFFFAOYSA-N
• XLogP: 69.44
• TPSA: 258.44 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 60
• Heavy Atoms: 336
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4748.30
LogP ≤ 5	69.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane)?

The IUPAC name of tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane) (CID 162096548) is tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane).

What is the SMILES notation for tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane)?

The canonical SMILES for tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane) is CCC1CCC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1CCC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCC1COC(c2ccc(-c3cc(F)c(OCc4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.

What is the InChIKey of tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane)?

The InChIKey is ZEIBJXJLDVAQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H22F6O2.4C25H20F6O3.4C25H21F5O3/c2*1-2-14-3-6-24(33-12-14)16-4-5-18(19(27)9-16)17-10-22(30)26(23(31)11-17)34-13-15-7-20(28)25(32)21(29)8-15;4*1-2-13-10-33-25(34-11-13)15-3-4-17(18(26)7-15)16-8-21(29)24(22(30)9-16)32-12-14-5-19(27)23(31)20(28)6-14;4*1-2-14-11-32-25(33-12-14)17-5-3-16(4-6-17)18-9-21(28)24(22(29)10-18)31-13-15-7-19(26)23(30)20(27)8-15/h2*4-5,7-11,14,24H,2-3,6,12-13H2,1H3;4*3-9,13,25H,2,10-12H2,1H3;4*3-10,14,25H,2,11-13H2,1H3.

What are the key properties of tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane)?

tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane) has a molecular weight of 4748.30 g/mol, XLogP of 69.44, 60 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyl-1,3-dioxane);bis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]-5-ethyloxane);tetrakis(2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]phenyl]-5-ethyl-1,3-dioxane) is sourced from PubChem (CID 162096548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).