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

C30H20ClF3S — CID 102590601

IUPAC4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene
SMILESCc1ccc(-c2sc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C30H20ClF3S/c1-19-7-9-23(10-8-19)29-26(20-11-15-24(16-12-20)30(32,33)34)27(21-13-17-25(31)18-14-21)28(35-29)22-5-3-2-4-6-22/h2-18H,1H3
InChIKeyYNESWZQICIKQDU-UHFFFAOYSA-N
MW505.00 g/mol
LogP10.40
Rot. Bonds4

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

4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 102590601) has the molecular formula C30H20ClF3S and a molecular weight of 505.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID102590601
Molecular FormulaC30H20ClF3S
Molecular Weight505.00 g/mol
Exact Mass504.09
IUPAC Name4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene
SMILESCc1ccc(-c2sc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C30H20ClF3S/c1-19-7-9-23(10-8-19)29-26(20-11-15-24(16-12-20)30(32,33)34)27(21-13-17-25(31)18-14-21)28(35-29)22-5-3-2-4-6-22/h2-18H,1H3
InChIKeyYNESWZQICIKQDU-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene (CID 102590601) is 4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene is Cc1ccc(-c2sc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is YNESWZQICIKQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClF3S/c1-19-7-9-23(10-8-19)29-26(20-11-15-24(16-12-20)30(32,33)34)27(21-13-17-25(31)18-14-21)28(35-29)22-5-3-2-4-6-22/h2-18H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene?
4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[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 4-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 102590601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).