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

C30H20ClF3S — CID 44521190

IUPAC3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESCc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)sc(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H20ClF3S/c1-19-7-9-20(10-8-19)26-27(21-13-17-25(31)18-14-21)28(22-5-3-2-4-6-22)35-29(26)23-11-15-24(16-12-23)30(32,33)34/h2-18H,1H3
InChIKeyYYEYOJCOLZRZJK-UHFFFAOYSA-N
MW505.00 g/mol
LogP10.40
Rot. Bonds4

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

3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 44521190) has the molecular formula C30H20ClF3S and a molecular weight of 505.00 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID44521190
Molecular FormulaC30H20ClF3S
Molecular Weight505.00 g/mol
Exact Mass504.09
IUPAC Name3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESCc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)sc(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H20ClF3S/c1-19-7-9-20(10-8-19)26-27(21-13-17-25(31)18-14-21)28(22-5-3-2-4-6-22)35-29(26)23-11-15-24(16-12-23)30(32,33)34/h2-18H,1H3
InChIKeyYYEYOJCOLZRZJK-UHFFFAOYSA-N
XLogP10.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.00
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Triarathene
CID 6450825
2-(4-(tert-Butyl)phenyl)-3-(4-chlorophenyl)-4-phenyl-5-(4-(trifluoromethyl)phenyl)thiophene
CID 86341879
2-(4-(tert-Butyl)phenyl)-3-(4-chlorophenyl)-4-phenyl-5-(4-(trifluoromethyl)phenyl)thiophene 1-oxide
CID 86341896
4-(4-Chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene
CID 102590601
5-(4-Chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene
CID 122221807
3-(4-Butylphenyl)-5-(4-chlorophenyl)-4-phenyl-2-(m-tolyl)thiophene
CID 86341884
2,3,4,5-Tetrakis(4-chlorophenyl)thiophene
CID 102151646
3-(4-Chlorophenyl)-2-(4-fluorophenyl)-5-(trifluoromethylsulfanyl)thiophene
CID 12766304
3,3,4,4,5,5-Hexafluoro-1,2-bis[2-methyl-5-(4-chlorophenyl)thiophene-3-yl]-1-cyclopentene
CID 21044739
3-[2-[5-(4-Chlorophenyl)-2-phenylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene
CID 59615565
5-(4-Chlorophenyl)-2-phenyl-3-(trifluoromethyl)thiophene
CID 60131509
2-(4-Chlorophenyl)-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 69906718

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene (CID 44521190) is 3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene is Cc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)sc(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is YYEYOJCOLZRZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClF3S/c1-19-7-9-20(10-8-19)26-27(21-13-17-25(31)18-14-21)28(22-5-3-2-4-6-22)35-29(26)23-11-15-24(16-12-23)30(32,33)34/h2-18H,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene?
3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene has a molecular weight of 505.00 g/mol, XLogP of 10.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 44521190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).