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

C25H21NS — CID 165170798

IUPAC4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2sc2c3ccc3cccc(C)c32)c1
InChIInChI=1S/C25H21NS/c1-15(2)18-12-13-26-22(14-18)21-9-5-8-19-20-11-10-17-7-4-6-16(3)23(17)25(20)27-24(19)21/h4-15H,1-3H3/i15D
InChIKeyGLAYLIJQIRPYPZ-RWFJLFJASA-N
MW368.52 g/mol
LogP7.70
Rot. Bonds2

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

4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine (PubChem CID 165170798) has the molecular formula C25H21NS and a molecular weight of 368.52 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine
PubChem CID165170798
Molecular FormulaC25H21NS
Molecular Weight368.52 g/mol
Exact Mass368.15
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2sc2c3ccc3cccc(C)c32)c1
InChIInChI=1S/C25H21NS/c1-15(2)18-12-13-26-22(14-18)21-9-5-8-19-20-11-10-17-7-4-6-16(3)23(17)25(20)27-24(19)21/h4-15H,1-3H3/i15D
InChIKeyGLAYLIJQIRPYPZ-RWFJLFJASA-N
XLogP7.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 57.70
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-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165171153
[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]dibenzothiophen-4-yl]-trimethylgermane
CID 165170806
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine
CID 165170793
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170640
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-(1,1-dideuterioethyl)-8-propan-2-yldibenzothiophen-4-yl]pyridine
CID 165170846
4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
CID 165170605
4-(2-deuteriopropan-2-yl)-2-(1-methyl-9H-naphtho[1,2-b][1]benzothiol-9-id-10-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 165171082
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-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-[7-(2,6-dimethylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170725

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine (CID 165170798) is 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine is [2H]C(C)(C)c1ccnc(-c2cccc3c2sc2c3ccc3cccc(C)c32)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine?
The InChIKey is GLAYLIJQIRPYPZ-RWFJLFJASA-N. The full InChI is InChI=1S/C25H21NS/c1-15(2)18-12-13-26-22(14-18)21-9-5-8-19-20-11-10-17-7-4-6-16(3)23(17)25(20)27-24(19)21/h4-15H,1-3H3/i15D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine?
4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine has a molecular weight of 368.52 g/mol, XLogP of 7.70, 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-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine is sourced from PubChem (CID 165170798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).