4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine

C25H21NS — CID 165170793

IUPAC4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cc3cccc(C)c3c3c2sc2ccccc23)c1
InChIInChI=1S/C25H21NS/c1-15(2)17-11-12-26-21(14-17)20-13-18-8-6-7-16(3)23(18)24-19-9-4-5-10-22(19)27-25(20)24/h4-15H,1-3H3/i15D
InChIKeyWAPMDLGCVWNSQF-RWFJLFJASA-N
MW368.52 g/mol
LogP7.70
Rot. Bonds2

About 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine

4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine (PubChem CID 165170793) 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[2,1-b][1]benzothiol-6-yl)pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine
PubChem CID165170793
Molecular FormulaC25H21NS
Molecular Weight368.52 g/mol
Exact Mass368.15
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cc3cccc(C)c3c3c2sc2ccccc23)c1
InChIInChI=1S/C25H21NS/c1-15(2)17-11-12-26-21(14-17)20-13-18-8-6-7-16(3)23(18)24-19-9-4-5-10-22(19)27-25(20)24/h4-15H,1-3H3/i15D
InChIKeyWAPMDLGCVWNSQF-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-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165170798
2-(6-methyl-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-11-yl)-4-propan-2-ylpyridine
CID 169291815
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
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-dibenzothiophen-2-ylpyridine
CID 162708702
4-(3-methylbutan-2-yl)-2-(1-phenyldibenzothiophen-4-yl)pyridine
CID 166574230
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170640
[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]dibenzothiophen-4-yl]-trimethylgermane
CID 165170806
4-(2-deuteriopropan-2-yl)-2-[4-(2-deuteriopropan-2-yl)naphtho[1,2-b][1]benzothiol-10-yl]pyridine
CID 165170907
2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166573694
4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane
CID 166573542
4-[1-deuterio-1-(2-methylphenyl)ethyl]-2-[7-(trifluoromethyl)dibenzothiophen-4-yl]pyridine
CID 165170853

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine (CID 165170793) is 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine is [2H]C(C)(C)c1ccnc(-c2cc3cccc(C)c3c3c2sc2ccccc23)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine?
The InChIKey is WAPMDLGCVWNSQF-RWFJLFJASA-N. The full InChI is InChI=1S/C25H21NS/c1-15(2)17-11-12-26-21(14-17)20-13-18-8-6-7-16(3)23(18)24-19-9-4-5-10-22(19)27-25(20)24/h4-15H,1-3H3/i15D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine?
4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-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[2,1-b][1]benzothiol-6-yl)pyridine is sourced from PubChem (CID 165170793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).