2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine

C25H19NS — CID 162708265

IUPAC2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc3sc4ccccc4c3c2)cc1C([2H])([2H])c1ccccc1
InChIInChI=1S/C25H19NS/c1-17-16-26-23(15-20(17)13-18-7-3-2-4-8-18)19-11-12-25-22(14-19)21-9-5-6-10-24(21)27-25/h2-12,14-16H,13H2,1H3/i1D3,13D2
InChIKeyZGPOXLRAORAYEZ-HGSMBRELSA-N
MW370.53 g/mol
LogP7.02
Rot. Bonds4

About 2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine

2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine (PubChem CID 162708265) has the molecular formula C25H19NS and a molecular weight of 370.53 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine
PubChem CID162708265
Molecular FormulaC25H19NS
Molecular Weight370.53 g/mol
Exact Mass370.16
IUPAC Name2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc3sc4ccccc4c3c2)cc1C([2H])([2H])c1ccccc1
InChIInChI=1S/C25H19NS/c1-17-16-26-23(15-20(17)13-18-7-3-2-4-8-18)19-11-12-25-22(14-19)21-9-5-6-10-24(21)27-25/h2-12,14-16H,13H2,1H3/i1D3,13D2
InChIKeyZGPOXLRAORAYEZ-HGSMBRELSA-N
XLogP7.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine
CID 166575727
(6-dibenzothiophen-2-yl-4-propyl-3-pyridinyl)-trimethylsilane
CID 140751261
2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine
CID 162707478
2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine
CID 162709845
4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine
CID 162709786
2-phenyl-5-[2-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]dibenzothiophen-3-yl]-5-[2-[6-phenyl-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine
CID 176729022
(2-dibenzothiophen-2-yl-5-propan-2-yl-4-pyridinyl)-trimethylsilane
CID 140720181
4-[dideuterio(phenyl)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;iridium;4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 162707508
(2-dibenzothiophen-2-yl-4-pyridinyl)-trimethylsilane
CID 140719910
4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
CID 162708702
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 153187941
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine (CID 162708265) is 2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cnc(-c2ccc3sc4ccccc4c3c2)cc1C([2H])([2H])c1ccccc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine?
The InChIKey is ZGPOXLRAORAYEZ-HGSMBRELSA-N. The full InChI is InChI=1S/C25H19NS/c1-17-16-26-23(15-20(17)13-18-7-3-2-4-8-18)19-11-12-25-22(14-19)21-9-5-6-10-24(21)27-25/h2-12,14-16H,13H2,1H3/i1D3,13D2.
What are the key properties of 2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine?
2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine has a molecular weight of 370.53 g/mol, XLogP of 7.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 162708265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).