4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine

C24H18FNS — CID 165171153

IUPAC4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2sc2c4ccc(F)cc4ccc32)c1
InChIInChI=1S/C24H18FNS/c1-14(2)15-10-11-26-22(13-15)21-5-3-4-19-20-8-6-16-12-17(25)7-9-18(16)23(20)27-24(19)21/h3-14H,1-2H3/i14D
InChIKeyAYEPLDJTJZZYGI-FCFVPJCTSA-N
MW372.49 g/mol
LogP7.53
Rot. Bonds2

About 4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine

4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine (PubChem CID 165171153) has the molecular formula C24H18FNS and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine
PubChem CID165171153
Molecular FormulaC24H18FNS
Molecular Weight372.49 g/mol
Exact Mass372.12
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2sc2c4ccc(F)cc4ccc32)c1
InChIInChI=1S/C24H18FNS/c1-14(2)15-10-11-26-22(13-15)21-5-3-4-19-20-8-6-16-12-17(25)7-9-18(16)23(20)27-24(19)21/h3-14H,1-2H3/i14D
InChIKeyAYEPLDJTJZZYGI-FCFVPJCTSA-N
XLogP7.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-[4-(2-deuteriopropan-2-yl)naphtho[1,2-b][1]benzothiol-10-yl]pyridine
CID 165170907
4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165170798
[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]dibenzothiophen-4-yl]-trimethylgermane
CID 165170806
8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzothiolo[2,3-b]pyridine
CID 155612410
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
4-[(E)-2-deuteriopent-3-en-2-yl]-2-[4-(2-deuteriopropan-2-yl)naphtho[1,2-b][1]benzothiol-10-yl]pyridine
CID 165170987
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170640
[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
CID 165170727
6-fluoro-3-[6-(6-fluoroisoquinolin-3-yl)dibenzothiophen-4-yl]isoquinoline
CID 171419675
4-(2-deuteriopropan-2-yl)-2-(3-fluoro-9H-naphtho[1,2-b][1]benzothiol-9-id-10-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 165171532
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-[7-(2,6-dimethylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170725
4-(2-deuteriopropan-2-yl)-2-[7-(1,1-dideuterioethyl)-8-propan-2-yldibenzothiophen-4-yl]pyridine
CID 165170846

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine (CID 165171153) is 4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine is [2H]C(C)(C)c1ccnc(-c2cccc3c2sc2c4ccc(F)cc4ccc32)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine?
The InChIKey is AYEPLDJTJZZYGI-FCFVPJCTSA-N. The full InChI is InChI=1S/C24H18FNS/c1-14(2)15-10-11-26-22(13-15)21-5-3-4-19-20-8-6-16-12-17(25)7-9-18(16)23(20)27-24(19)21/h3-14H,1-2H3/i14D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine?
4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine has a molecular weight of 372.49 g/mol, XLogP of 7.53, 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-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine is sourced from PubChem (CID 165171153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).