3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene

C31H23F3OS — CID 102590604

IUPAC3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESCOc1ccc(-c2c(-c3ccccc3)sc(-c3ccc(C(F)(F)F)cc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C31H23F3OS/c1-20-8-10-21(11-9-20)27-28(22-14-18-26(35-2)19-15-22)29(23-6-4-3-5-7-23)36-30(27)24-12-16-25(17-13-24)31(32,33)34/h3-19H,1-2H3
InChIKeyKFXPAOCMYDIJCD-UHFFFAOYSA-N
MW500.59 g/mol
LogP9.75
Rot. Bonds5

About 3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene

3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 102590604) has the molecular formula C31H23F3OS and a molecular weight of 500.59 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID102590604
Molecular FormulaC31H23F3OS
Molecular Weight500.59 g/mol
Exact Mass500.14
IUPAC Name3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESCOc1ccc(-c2c(-c3ccccc3)sc(-c3ccc(C(F)(F)F)cc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C31H23F3OS/c1-20-8-10-21(11-9-20)27-28(22-14-18-26(35-2)19-15-22)29(23-6-4-3-5-7-23)36-30(27)24-12-16-25(17-13-24)31(32,33)34/h3-19H,1-2H3
InChIKeyKFXPAOCMYDIJCD-UHFFFAOYSA-N
XLogP9.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.59
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Bis(4-methoxyphenyl)thiophene
CID 3552928
2-(2-Methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene
CID 24819146
3-(2-Fluoro-4-methoxyphenyl)-5-methoxy-2-(3-methoxyphenyl)-1-benzothiophene
CID 44142476
3-(2-Fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 53301498
3-(3-Fluoro-4-methoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 44142493
2-(4-Methoxyphenyl)-3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 46228121
1-[2-Methyl-5-(4-methoxyphenyl)-3-thienyl]-2-[2-methyl-5-(4-ethynylphenyl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene
CID 101189735
3-Fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene
CID 134832966
1,2-Bis(5-p-anisyl-2,4-dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopentene
CID 5249399
1,2-Bis(2-methyl-5-p-methoxy-phenyl-3-thienyl)perfluorocyclopentene
CID 12084120
1-[2-Methyl-5-(p-anisyl)-3-thienyl]-2,3,3,4,4,5,5-heptafluoro-1-cyclopentene
CID 12134405
1-(2,5-Dimethylthien-3-yl)-2-[3-methyl-5-(p-methoxyphenyl) thien-2-yl]perfluorocyclopentene
CID 12134411

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene (CID 102590604) is 3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene is COc1ccc(-c2c(-c3ccccc3)sc(-c3ccc(C(F)(F)F)cc3)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is KFXPAOCMYDIJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3OS/c1-20-8-10-21(11-9-20)27-28(22-14-18-26(35-2)19-15-22)29(23-6-4-3-5-7-23)36-30(27)24-12-16-25(17-13-24)31(32,33)34/h3-19H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene has a molecular weight of 500.59 g/mol, XLogP of 9.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 102590604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).