2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole

C69H44F9N3O3S — CID 126495216

About 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole

2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole (PubChem CID 126495216) has the molecular formula C69H44F9N3O3S and a molecular weight of 1166.18 g/mol. Its IUPAC name is 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole
• PubChem CID: 126495216
• Molecular Formula: C69H44F9N3O3S
• Molecular Weight: 1166.18 g/mol
• Exact Mass: 1165.30
• IUPAC Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole
• SMILES: FC(F)(F)c1cccc(Cc2nc(-c3cccc(-c4cccc(-c5oc(/C=C/c6cccs6)nc5-c5ccccc5)c4)c3)c(-c3cccc(-c4cccc(-c5nc(CCc6cc(C(F)(F)F)cc(C(F)(F)F)c6)oc5-c5ccccc5)c4)c3)o2)c1
• InChI: InChI=1S/C69H44F9N3O3S/c70-67(71,72)54-26-7-13-42(33-54)36-60-81-63(51-23-9-19-47(38-51)48-20-10-24-52(39-48)65-61(44-14-3-1-4-15-44)79-59(83-65)31-29-57-27-12-32-85-57)66(84-60)53-25-11-21-49(40-53)46-18-8-22-50(37-46)62-64(45-16-5-2-6-17-45)82-58(80-62)30-28-43-34-55(68(73,74)75)41-56(35-43)69(76,77)78/h1-27,29,31-35,37-41H,28,30,36H2/b31-29+
• InChIKey: ZVEXAKLHTNZEST-OWWNRXNESA-N
• XLogP: 20.65
• TPSA: 78.09 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1166.18
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole?

The IUPAC name of 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole (CID 126495216) is 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole.

What is the SMILES notation for 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole?

The canonical SMILES for 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole is FC(F)(F)c1cccc(Cc2nc(-c3cccc(-c4cccc(-c5oc(/C=C/c6cccs6)nc5-c5ccccc5)c4)c3)c(-c3cccc(-c4cccc(-c5nc(CCc6cc(C(F)(F)F)cc(C(F)(F)F)c6)oc5-c5ccccc5)c4)c3)o2)c1.

What is the InChIKey of 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole?

The InChIKey is ZVEXAKLHTNZEST-OWWNRXNESA-N. The full InChI is InChI=1S/C69H44F9N3O3S/c70-67(71,72)54-26-7-13-42(33-54)36-60-81-63(51-23-9-19-47(38-51)48-20-10-24-52(39-48)65-61(44-14-3-1-4-15-44)79-59(83-65)31-29-57-27-12-32-85-57)66(84-60)53-25-11-21-49(40-53)46-18-8-22-50(37-46)62-64(45-16-5-2-6-17-45)82-58(80-62)30-28-43-34-55(68(73,74)75)41-56(35-43)69(76,77)78/h1-27,29,31-35,37-41H,28,30,36H2/b31-29+.

What are the key properties of 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole?

2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole has a molecular weight of 1166.18 g/mol, XLogP of 20.65, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4-[3-[3-[4-[3-[3-[4-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazol-5-yl]phenyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 126495216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).