4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine

C24H16FNS — CID 162709786

IUPAC4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine
SMILES[2H]C([2H])(c1ccccc1)c1ccnc(-c2ccc3sc4cc(F)ccc4c3c2)c1
InChIInChI=1S/C24H16FNS/c25-19-7-8-20-21-14-18(6-9-23(21)27-24(20)15-19)22-13-17(10-11-26-22)12-16-4-2-1-3-5-16/h1-11,13-15H,12H2/i12D2
InChIKeyVHICGUZSMLETEJ-XUWBISKJSA-N
MW371.48 g/mol
LogP6.85
Rot. Bonds3

About 4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine

4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine (PubChem CID 162709786) has the molecular formula C24H16FNS and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine
PubChem CID162709786
Molecular FormulaC24H16FNS
Molecular Weight371.48 g/mol
Exact Mass371.11
IUPAC Name4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine
SMILES[2H]C([2H])(c1ccccc1)c1ccnc(-c2ccc3sc4cc(F)ccc4c3c2)c1
InChIInChI=1S/C24H16FNS/c25-19-7-8-20-21-14-18(6-9-23(21)27-24(20)15-19)22-13-17(10-11-26-22)12-16-4-2-1-3-5-16/h1-11,13-15H,12H2/i12D2
InChIKeyVHICGUZSMLETEJ-XUWBISKJSA-N
XLogP6.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]pyridine
CID 166576691
2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine
CID 162708265
2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine
CID 166575809
4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)dibenzothiophen-2-yl]pyridine
CID 169038578
4-benzyl-2-(4-fluorophenyl)pyridine
CID 162708320
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine
CID 166577015
(2-dibenzothiophen-2-yl-4-pyridinyl)-trimethylsilane
CID 140719910
4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine
CID 162709839
4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
CID 162708702
4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
CID 166575205
2-dibenzothiophen-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293943

Frequently Asked Questions

What is the IUPAC name of 4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine?
The IUPAC name of 4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine (CID 162709786) is 4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine.
What is the SMILES notation for 4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine?
The canonical SMILES for 4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine is [2H]C([2H])(c1ccccc1)c1ccnc(-c2ccc3sc4cc(F)ccc4c3c2)c1.
What is the InChIKey of 4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine?
The InChIKey is VHICGUZSMLETEJ-XUWBISKJSA-N. The full InChI is InChI=1S/C24H16FNS/c25-19-7-8-20-21-14-18(6-9-23(21)27-24(20)15-19)22-13-17(10-11-26-22)12-16-4-2-1-3-5-16/h1-11,13-15H,12H2/i12D2.
What are the key properties of 4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine?
4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine has a molecular weight of 371.48 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine is sourced from PubChem (CID 162709786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).