2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene

C28H19F3OS2 — CID 46181810

IUPAC2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cc3)s2)cc1
InChIInChI=1S/C28H19F3OS2/c1-32-23-12-8-21(9-13-23)27-17-15-25(34-27)19-4-2-18(3-5-19)24-14-16-26(33-24)20-6-10-22(11-7-20)28(29,30)31/h2-17H,1H3
InChIKeyOELCQVCXXQLIEJ-UHFFFAOYSA-N
MW492.59 g/mol
LogP9.51
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene

2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene (PubChem CID 46181810) has the molecular formula C28H19F3OS2 and a molecular weight of 492.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
PubChem CID46181810
Molecular FormulaC28H19F3OS2
Molecular Weight492.59 g/mol
Exact Mass492.08
IUPAC Name2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cc3)s2)cc1
InChIInChI=1S/C28H19F3OS2/c1-32-23-12-8-21(9-13-23)27-17-15-25(34-27)19-4-2-18(3-5-19)24-14-16-26(33-24)20-6-10-22(11-7-20)28(29,30)31/h2-17H,1H3
InChIKeyOELCQVCXXQLIEJ-UHFFFAOYSA-N
XLogP9.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
2,5-bis[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]thiophene
CID 102235498
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene
CID 59066519
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene
CID 151477310
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene?
The IUPAC name of 2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene (CID 46181810) is 2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene is COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cc3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene?
The InChIKey is OELCQVCXXQLIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3OS2/c1-32-23-12-8-21(9-13-23)27-17-15-25(34-27)19-4-2-18(3-5-19)24-14-16-26(33-24)20-6-10-22(11-7-20)28(29,30)31/h2-17H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene?
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene has a molecular weight of 492.59 g/mol, XLogP of 9.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene is sourced from PubChem (CID 46181810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).