2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene

C29H19F3OS — CID 141206088

IUPAC2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene
SMILESCOc1ccc(-c2c(-c3ccc(F)c(F)c3)sc(-c3ccccc3)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C29H19F3OS/c1-33-23-14-9-19(10-15-23)27-26(18-7-12-22(30)13-8-18)28(20-5-3-2-4-6-20)34-29(27)21-11-16-24(31)25(32)17-21/h2-17H,1H3
InChIKeyZFMKHFKRUBSWER-UHFFFAOYSA-N
MW472.53 g/mol
LogP8.84
Rot. Bonds5

About 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene

2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene (PubChem CID 141206088) has the molecular formula C29H19F3OS and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene
PubChem CID141206088
Molecular FormulaC29H19F3OS
Molecular Weight472.53 g/mol
Exact Mass472.11
IUPAC Name2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene
SMILESCOc1ccc(-c2c(-c3ccc(F)c(F)c3)sc(-c3ccccc3)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C29H19F3OS/c1-33-23-14-9-19(10-15-23)27-26(18-7-12-22(30)13-8-18)28(20-5-3-2-4-6-20)34-29(27)21-11-16-24(31)25(32)17-21/h2-17H,1H3
InChIKeyZFMKHFKRUBSWER-UHFFFAOYSA-N
XLogP8.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene
CID 54577902
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene
CID 87458156
2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
CID 139964410
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
6-methoxy-2,3-diphenyl-1-benzothiophene
CID 13013583
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide
CID 57302374
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene
CID 86341887
1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone
CID 23372664

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene?
The IUPAC name of 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene (CID 141206088) is 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene is COc1ccc(-c2c(-c3ccc(F)c(F)c3)sc(-c3ccccc3)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene?
The InChIKey is ZFMKHFKRUBSWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F3OS/c1-33-23-14-9-19(10-15-23)27-26(18-7-12-22(30)13-8-18)28(20-5-3-2-4-6-20)34-29(27)21-11-16-24(31)25(32)17-21/h2-17H,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene?
2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene has a molecular weight of 472.53 g/mol, XLogP of 8.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene is sourced from PubChem (CID 141206088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).