2-(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

C25H22N2S2 — CID 102261552

IUPAC2-(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=C1CCCC1=C1C=C(c3ccccn3)SC12C
InChIInChI=1S/C25H22N2S2/c1-24-18(14-22(28-24)20-10-3-5-12-26-20)16-8-7-9-17(16)19-15-23(29-25(19,24)2)21-11-4-6-13-27-21/h3-6,10-15H,7-9H2,1-2H3
InChIKeyUHYRYQIUNSNEKP-UHFFFAOYSA-N
MW414.60 g/mol
LogP6.66
Rot. Bonds2

About 2-(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-(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 102261552) has the molecular formula C25H22N2S2 and a molecular weight of 414.60 g/mol. Its IUPAC name is 2-(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-(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 CID102261552
Molecular FormulaC25H22N2S2
Molecular Weight414.60 g/mol
Exact Mass414.12
IUPAC Name2-(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=C1CCCC1=C1C=C(c3ccccn3)SC12C
InChIInChI=1S/C25H22N2S2/c1-24-18(14-22(28-24)20-10-3-5-12-26-20)16-8-7-9-17(16)19-15-23(29-25(19,24)2)21-11-4-6-13-27-21/h3-6,10-15H,7-9H2,1-2H3
InChIKeyUHYRYQIUNSNEKP-UHFFFAOYSA-N
XLogP6.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.60
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(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

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Related Compounds

4-[(1S,2S)-1,2-dimethyl-14-pyridin-4-yl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]pyridine
CID 102143145
2-pyridin-2-ylcyclopentene-1-carbonitrile
CID 121220188
4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine
CID 79840672
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917520
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2-(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-(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 102261552) is 2-(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-(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-(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=C1CCCC1=C1C=C(c3ccccn3)SC12C.
What is the InChIKey of 2-(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 UHYRYQIUNSNEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2S2/c1-24-18(14-22(28-24)20-10-3-5-12-26-20)16-8-7-9-17(16)19-15-23(29-25(19,24)2)21-11-4-6-13-27-21/h3-6,10-15H,7-9H2,1-2H3.
What are the key properties of 2-(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-(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 414.60 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(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 102261552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).