3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene

C37H22F6S2 — CID 59428766

IUPAC3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene
SMILESFC1(F)C(c2cc(-c3ccccc3)sc2-c2ccccc2)=C(c2cc(-c3ccccc3)sc2-c2ccccc2)C(F)(F)C1(F)F
InChIInChI=1S/C37H22F6S2/c38-35(39)31(27-21-29(23-13-5-1-6-14-23)44-33(27)25-17-9-3-10-18-25)32(36(40,41)37(35,42)43)28-22-30(24-15-7-2-8-16-24)45-34(28)26-19-11-4-12-20-26/h1-22H
InChIKeyBRBQBALOQOTVTL-UHFFFAOYSA-N
MW644.71 g/mol
LogP12.31
Rot. Bonds6

About 3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene

3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene (PubChem CID 59428766) has the molecular formula C37H22F6S2 and a molecular weight of 644.71 g/mol. Its IUPAC name is 3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene.

Molecular Properties

Compound Name3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene
PubChem CID59428766
Molecular FormulaC37H22F6S2
Molecular Weight644.71 g/mol
Exact Mass644.11
IUPAC Name3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene
SMILESFC1(F)C(c2cc(-c3ccccc3)sc2-c2ccccc2)=C(c2cc(-c3ccccc3)sc2-c2ccccc2)C(F)(F)C1(F)F
InChIInChI=1S/C37H22F6S2/c38-35(39)31(27-21-29(23-13-5-1-6-14-23)44-33(27)25-17-9-3-10-18-25)32(36(40,41)37(35,42)43)28-22-30(24-15-7-2-8-16-24)45-34(28)26-19-11-4-12-20-26/h1-22H
InChIKeyBRBQBALOQOTVTL-UHFFFAOYSA-N
XLogP12.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.71
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene?
The IUPAC name of 3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene (CID 59428766) is 3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene.
What is the SMILES notation for 3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene?
The canonical SMILES for 3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene is FC1(F)C(c2cc(-c3ccccc3)sc2-c2ccccc2)=C(c2cc(-c3ccccc3)sc2-c2ccccc2)C(F)(F)C1(F)F.
What is the InChIKey of 3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene?
The InChIKey is BRBQBALOQOTVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22F6S2/c38-35(39)31(27-21-29(23-13-5-1-6-14-23)44-33(27)25-17-9-3-10-18-25)32(36(40,41)37(35,42)43)28-22-30(24-15-7-2-8-16-24)45-34(28)26-19-11-4-12-20-26/h1-22H.
What are the key properties of 3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene?
3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene has a molecular weight of 644.71 g/mol, XLogP of 12.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-diphenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-diphenylthiophene is sourced from PubChem (CID 59428766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).