4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine

C20H17NS — CID 162708702

IUPAC4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
SMILES[2H]C(C)(C)c1ccnc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C20H17NS/c1-13(2)14-9-10-21-18(12-14)15-7-8-20-17(11-15)16-5-3-4-6-19(16)22-20/h3-13H,1-2H3/i13D
InChIKeyXMBCMILCXDAMBO-YSOHJTORSA-N
MW304.44 g/mol
LogP6.24
Rot. Bonds2

About 4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine

4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine (PubChem CID 162708702) has the molecular formula C20H17NS and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
PubChem CID162708702
Molecular FormulaC20H17NS
Molecular Weight304.44 g/mol
Exact Mass304.11
IUPAC Name4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
SMILES[2H]C(C)(C)c1ccnc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C20H17NS/c1-13(2)14-9-10-21-18(12-14)15-7-8-20-17(11-15)16-5-3-4-6-19(16)22-20/h3-13H,1-2H3/i13D
InChIKeyXMBCMILCXDAMBO-YSOHJTORSA-N
XLogP6.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine
CID 166578354
trimethyl-[8-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-2-yl]germane
CID 164832484
(2-dibenzothiophen-2-yl-4-pyridinyl)-trimethylsilane
CID 140719910
4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine
CID 166574588
(2-dibenzothiophen-2-yl-5-propan-2-yl-4-pyridinyl)-trimethylsilane
CID 140720181
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine
CID 166577015
2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166574431
4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine
CID 164792192
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
CID 166576650
4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine
CID 165170793

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine (CID 162708702) is 4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine is [2H]C(C)(C)c1ccnc(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine?
The InChIKey is XMBCMILCXDAMBO-YSOHJTORSA-N. The full InChI is InChI=1S/C20H17NS/c1-13(2)14-9-10-21-18(12-14)15-7-8-20-17(11-15)16-5-3-4-6-19(16)22-20/h3-13H,1-2H3/i13D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine?
4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine has a molecular weight of 304.44 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine is sourced from PubChem (CID 162708702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).