4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine

C37H24F6N2S2 — CID 162716057

IUPAC4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine
SMILESCc1sc(-c2ccc(-c3ccncc3)cc2)cc1C1=C(c2cc(-c3ccc(-c4ccncc4)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C37H24F6N2S2/c1-21-29(19-31(46-21)27-7-3-23(4-8-27)25-11-15-44-16-12-25)33-34(36(40,41)37(42,43)35(33,38)39)30-20-32(47-22(30)2)28-9-5-24(6-10-28)26-13-17-45-18-14-26/h3-20H,1-2H3
InChIKeyRRZHPBHUPQXAPL-UHFFFAOYSA-N
MW674.74 g/mol
LogP11.71
Rot. Bonds6

About 4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine

4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine (PubChem CID 162716057) has the molecular formula C37H24F6N2S2 and a molecular weight of 674.74 g/mol. Its IUPAC name is 4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine
PubChem CID162716057
Molecular FormulaC37H24F6N2S2
Molecular Weight674.74 g/mol
Exact Mass674.13
IUPAC Name4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine
SMILESCc1sc(-c2ccc(-c3ccncc3)cc2)cc1C1=C(c2cc(-c3ccc(-c4ccncc4)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C37H24F6N2S2/c1-21-29(19-31(46-21)27-7-3-23(4-8-27)25-11-15-44-16-12-25)33-34(36(40,41)37(42,43)35(33,38)39)30-20-32(47-22(30)2)28-9-5-24(6-10-28)26-13-17-45-18-14-26/h3-20H,1-2H3
InChIKeyRRZHPBHUPQXAPL-UHFFFAOYSA-N
XLogP11.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.74
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
CID 11210706
4-(4-(Thiophen-3-yl)benzyl)pyridine
CID 46901784
4,4',4'',4'''-(Thiene-2,3,4,5-tetrayl)tetrapyridine
CID 253078
Cyp17-IN-1
CID 137635843
6-fluoro-2-[(4-propan-2-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137638281
6-fluoro-2-[(4-prop-1-en-2-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137659776
4-[2-(4-Fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-thiophen-3-yl]-pyridine
CID 44399342
4-[5-[5-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]-N,N-diphenylaniline iodide
CID 162671326
6-fluoro-2-[(4-phenyl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137634990
6-fluoro-2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137655257
2,3,5,6-Tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine
CID 118911846
4-[2-(4-Fluorophenyl)-4-(3-phenylpropyl)thiophen-3-yl]pyridine
CID 118911859

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine?
The IUPAC name of 4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine (CID 162716057) is 4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine.
What is the SMILES notation for 4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine?
The canonical SMILES for 4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine is Cc1sc(-c2ccc(-c3ccncc3)cc2)cc1C1=C(c2cc(-c3ccc(-c4ccncc4)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine?
The InChIKey is RRZHPBHUPQXAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F6N2S2/c1-21-29(19-31(46-21)27-7-3-23(4-8-27)25-11-15-44-16-12-25)33-34(36(40,41)37(42,43)35(33,38)39)30-20-32(47-22(30)2)28-9-5-24(6-10-28)26-13-17-45-18-14-26/h3-20H,1-2H3.
What are the key properties of 4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine?
4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine has a molecular weight of 674.74 g/mol, XLogP of 11.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-pyridin-4-ylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]pyridine is sourced from PubChem (CID 162716057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).