2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene

C39H34F6S6 — CID 89484094

IUPAC2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene
SMILESCc1cc(-c2sc(-c3sc(C)c(C)c3C)cc2C2=C(c3cc(-c4sc(C)c(C)c4C)sc3-c3cc(C)c(C)s3)C(F)(F)C(F)(F)C2(F)F)sc1C
InChIInChI=1S/C39H34F6S6/c1-15-11-27(46-21(15)7)35-25(13-29(50-35)33-19(5)17(3)23(9)48-33)31-32(38(42,43)39(44,45)37(31,40)41)26-14-30(34-20(6)18(4)24(10)49-34)51-36(26)28-12-16(2)22(8)47-28/h11-14H,1-10H3
InChIKeyNPVOPVNBYQBUHL-UHFFFAOYSA-N
MW809.09 g/mol
LogP15.64
Rot. Bonds6

About 2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene

2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene (PubChem CID 89484094) has the molecular formula C39H34F6S6 and a molecular weight of 809.09 g/mol. Its IUPAC name is 2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene.

Molecular Properties

Compound Name2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene
PubChem CID89484094
Molecular FormulaC39H34F6S6
Molecular Weight809.09 g/mol
Exact Mass808.09
IUPAC Name2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene
SMILESCc1cc(-c2sc(-c3sc(C)c(C)c3C)cc2C2=C(c3cc(-c4sc(C)c(C)c4C)sc3-c3cc(C)c(C)s3)C(F)(F)C(F)(F)C2(F)F)sc1C
InChIInChI=1S/C39H34F6S6/c1-15-11-27(46-21(15)7)35-25(13-29(50-35)33-19(5)17(3)23(9)48-33)31-32(38(42,43)39(44,45)37(31,40)41)26-14-30(34-20(6)18(4)24(10)49-34)51-36(26)28-12-16(2)22(8)47-28/h11-14H,1-10H3
InChIKeyNPVOPVNBYQBUHL-UHFFFAOYSA-N
XLogP15.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.09
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene?
The IUPAC name of 2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene (CID 89484094) is 2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene.
What is the SMILES notation for 2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene?
The canonical SMILES for 2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene is Cc1cc(-c2sc(-c3sc(C)c(C)c3C)cc2C2=C(c3cc(-c4sc(C)c(C)c4C)sc3-c3cc(C)c(C)s3)C(F)(F)C(F)(F)C2(F)F)sc1C.
What is the InChIKey of 2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene?
The InChIKey is NPVOPVNBYQBUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34F6S6/c1-15-11-27(46-21(15)7)35-25(13-29(50-35)33-19(5)17(3)23(9)48-33)31-32(38(42,43)39(44,45)37(31,40)41)26-14-30(34-20(6)18(4)24(10)49-34)51-36(26)28-12-16(2)22(8)47-28/h11-14H,1-10H3.
What are the key properties of 2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene?
2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene has a molecular weight of 809.09 g/mol, XLogP of 15.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,5-dimethylthiophen-2-yl)-4-[2-[2-(4,5-dimethylthiophen-2-yl)-5-(3,4,5-trimethylthiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophen-2-yl]-3,4,5-trimethylthiophene is sourced from PubChem (CID 89484094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).