2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine

C34H24FN3S3 — CID 58106777

IUPAC2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine
SMILESFC(c1cccc(Sc2ccccc2)n1)(c1cccc(Sc2ccccc2)n1)c1cccc(Sc2ccccc2)n1
InChIInChI=1S/C34H24FN3S3/c35-34(28-19-10-22-31(36-28)39-25-13-4-1-5-14-25,29-20-11-23-32(37-29)40-26-15-6-2-7-16-26)30-21-12-24-33(38-30)41-27-17-8-3-9-18-27/h1-24H
InChIKeyXGGVTASKZPFHPO-UHFFFAOYSA-N
MW589.79 g/mol
LogP9.59
Rot. Bonds9

About 2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine

2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine (PubChem CID 58106777) has the molecular formula C34H24FN3S3 and a molecular weight of 589.79 g/mol. Its IUPAC name is 2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine.

Molecular Properties

Compound Name2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine
PubChem CID58106777
Molecular FormulaC34H24FN3S3
Molecular Weight589.79 g/mol
Exact Mass589.11
IUPAC Name2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine
SMILESFC(c1cccc(Sc2ccccc2)n1)(c1cccc(Sc2ccccc2)n1)c1cccc(Sc2ccccc2)n1
InChIInChI=1S/C34H24FN3S3/c35-34(28-19-10-22-31(36-28)39-25-13-4-1-5-14-25,29-20-11-23-32(37-29)40-26-15-6-2-7-16-26)30-21-12-24-33(38-30)41-27-17-8-3-9-18-27/h1-24H
InChIKeyXGGVTASKZPFHPO-UHFFFAOYSA-N
XLogP9.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.79
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-Adamantylthio)-2-phenylpyridine
CID 15133265
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CID 164679439
2,13-Dithia-4,22-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 5242524
Diquinolinyl sulfide
CID 13382414
2-Benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine
CID 58106934
2,8,14-Trifluoro-2,8,14-triphenyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(19),3(21),4,6,9(20),10,12,15,17-nonaene
CID 58224748
2-[Fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine
CID 67228538
6-[3-(2,2-Diphenylethenyl)phenyl]sulfanyl-2,3-difluoropyridine
CID 141531794
[[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl]sulfanyl-[4-[C-[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl]sulfanylcarbonimidoyl]phenyl]methylidene]azanium
CID 143560752
Fluoro-tris(2-pyridin-2-ylphenyl)-lambda4-sulfane
CID 145641236
Bis[6-[2-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] pyridine-2,6-dicarboximidothioate
CID 163447792

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine?
The IUPAC name of 2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine (CID 58106777) is 2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine.
What is the SMILES notation for 2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine?
The canonical SMILES for 2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine is FC(c1cccc(Sc2ccccc2)n1)(c1cccc(Sc2ccccc2)n1)c1cccc(Sc2ccccc2)n1.
What is the InChIKey of 2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine?
The InChIKey is XGGVTASKZPFHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24FN3S3/c35-34(28-19-10-22-31(36-28)39-25-13-4-1-5-14-25,29-20-11-23-32(37-29)40-26-15-6-2-7-16-26)30-21-12-24-33(38-30)41-27-17-8-3-9-18-27/h1-24H.
What are the key properties of 2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine?
2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine has a molecular weight of 589.79 g/mol, XLogP of 9.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine is sourced from PubChem (CID 58106777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).