2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene

C28H25F3OS — CID 86341901

IUPAC2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESCOc1c(-c2ccc(C(C)(C)C)cc2)sc(-c2ccc(C(F)(F)F)cc2)c1-c1ccccc1
InChIInChI=1S/C28H25F3OS/c1-27(2,3)21-14-10-20(11-15-21)26-24(32-4)23(18-8-6-5-7-9-18)25(33-26)19-12-16-22(17-13-19)28(29,30)31/h5-17H,1-4H3
InChIKeyANNZUCBOXNTMFW-UHFFFAOYSA-N
MW466.57 g/mol
LogP9.07
Rot. Bonds4

About 2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene

2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 86341901) has the molecular formula C28H25F3OS and a molecular weight of 466.57 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID86341901
Molecular FormulaC28H25F3OS
Molecular Weight466.57 g/mol
Exact Mass466.16
IUPAC Name2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESCOc1c(-c2ccc(C(C)(C)C)cc2)sc(-c2ccc(C(F)(F)F)cc2)c1-c1ccccc1
InChIInChI=1S/C28H25F3OS/c1-27(2,3)21-14-10-20(11-15-21)26-24(32-4)23(18-8-6-5-7-9-18)25(33-26)19-12-16-22(17-13-19)28(29,30)31/h5-17H,1-4H3
InChIKeyANNZUCBOXNTMFW-UHFFFAOYSA-N
XLogP9.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Methoxyphenyl)-3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 46228121
1,2-Bis(5-p-anisyl-2,4-dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopentene
CID 5249399
2-(4-(tert-Butyl)phenyl)-3-(4-methoxyphenyl)-4-phenyl-5-(4-(trifluoromethyl)phenyl)thiophene 1-oxide
CID 86341876
2-(4-(tert-Butyl)phenyl)-4-phenyl-5-(4-(trifluoromethyl)phenyl)thiophen-3-yl trifluoromethanesulfonate
CID 86341891
2-(4-(tert-Butyl)phenyl)-3-(4-methoxyphenyl)-4-phenyl-5-(4-(trifluoromethyl)phenyl)thiophene
CID 86341903
3,3'-(Hexafluorocyclopentene-1,2-diyl)bis(2-methoxy-4-methyl-5-phenylthiophene)
CID 101223689
2-[2,3-Difluoro-4'-methoxy-(1,1'-biphenyl)-4-yl]benzo[b]thiophene
CID 167296286
Tetra(p-anisyl)thiophene
CID 67519507
2,4,6-Tris(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4H-thiopyran
CID 325618
2-(3-Fluoro-4-methoxy-phenyl)-5-(4-hexyl-phenyl)-thiophene
CID 19757570
5-(4-Methoxyphenyl)-2-phenyl-3-(trifluoromethyl)thiophene
CID 60131540
2-(4-Methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]thiophene
CID 85991117

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene (CID 86341901) is 2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene is COc1c(-c2ccc(C(C)(C)C)cc2)sc(-c2ccc(C(F)(F)F)cc2)c1-c1ccccc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is ANNZUCBOXNTMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3OS/c1-27(2,3)21-14-10-20(11-15-21)26-24(32-4)23(18-8-6-5-7-9-18)25(33-26)19-12-16-22(17-13-19)28(29,30)31/h5-17H,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene has a molecular weight of 466.57 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-methoxy-4-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 86341901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).