2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene

C28H16F6S2 — CID 16751462

IUPAC2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cc3)s2)cc1
InChIInChI=1S/C28H16F6S2/c29-27(30,31)21-9-5-19(6-10-21)25-15-13-23(35-25)17-1-2-18(4-3-17)24-14-16-26(36-24)20-7-11-22(12-8-20)28(32,33)34/h1-16H
InChIKeyAWMOEZMXRWQGBL-UHFFFAOYSA-N
MW530.56 g/mol
LogP10.52
Rot. Bonds4

About 2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene

2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene (PubChem CID 16751462) has the molecular formula C28H16F6S2 and a molecular weight of 530.56 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
PubChem CID16751462
Molecular FormulaC28H16F6S2
Molecular Weight530.56 g/mol
Exact Mass530.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cc3)s2)cc1
InChIInChI=1S/C28H16F6S2/c29-27(30,31)21-9-5-19(6-10-21)25-15-13-23(35-25)17-1-2-18(4-3-17)24-14-16-26(36-24)20-7-11-22(12-8-20)28(32,33)34/h1-16H
InChIKeyAWMOEZMXRWQGBL-UHFFFAOYSA-N
XLogP10.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.56
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene (CID 16751462) is 2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene is FC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cc3)s2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene?
The InChIKey is AWMOEZMXRWQGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F6S2/c29-27(30,31)21-9-5-19(6-10-21)25-15-13-23(35-25)17-1-2-18(4-3-17)24-14-16-26(36-24)20-7-11-22(12-8-20)28(32,33)34/h1-16H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene?
2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene has a molecular weight of 530.56 g/mol, XLogP of 10.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene is sourced from PubChem (CID 16751462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).