2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine

C25H16F6N2S2 — CID 101411537

IUPAC2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine
SMILESCC12SC(c3ccccn3)=CC1=C1C(=C3C=C(c4ccccn4)SC32C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C25H16F6N2S2/c1-21-13(11-17(34-21)15-7-3-5-9-32-15)19-20(24(28,29)25(30,31)23(19,26)27)14-12-18(35-22(14,21)2)16-8-4-6-10-33-16/h3-12H,1-2H3
InChIKeyAHGXOPVHZDZTJK-UHFFFAOYSA-N
MW522.54 g/mol
LogP7.40
Rot. Bonds2

About 2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine

2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine (PubChem CID 101411537) has the molecular formula C25H16F6N2S2 and a molecular weight of 522.54 g/mol. Its IUPAC name is 2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine.

Molecular Properties

Compound Name2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine
PubChem CID101411537
Molecular FormulaC25H16F6N2S2
Molecular Weight522.54 g/mol
Exact Mass522.07
IUPAC Name2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine
SMILESCC12SC(c3ccccn3)=CC1=C1C(=C3C=C(c4ccccn4)SC32C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C25H16F6N2S2/c1-21-13(11-17(34-21)15-7-3-5-9-32-15)19-20(24(28,29)25(30,31)23(19,26)27)14-12-18(35-22(14,21)2)16-8-4-6-10-33-16/h3-12H,1-2H3
InChIKeyAHGXOPVHZDZTJK-UHFFFAOYSA-N
XLogP7.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.54
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine 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 2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine?
The IUPAC name of 2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine (CID 101411537) is 2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine.
What is the SMILES notation for 2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine?
The canonical SMILES for 2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine is CC12SC(c3ccccn3)=CC1=C1C(=C3C=C(c4ccccn4)SC32C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine?
The InChIKey is AHGXOPVHZDZTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F6N2S2/c1-21-13(11-17(34-21)15-7-3-5-9-32-15)19-20(24(28,29)25(30,31)23(19,26)27)14-12-18(35-22(14,21)2)16-8-4-6-10-33-16/h3-12H,1-2H3.
What are the key properties of 2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine?
2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine has a molecular weight of 522.54 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-pyridin-2-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl)pyridine is sourced from PubChem (CID 101411537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).