2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine

C27H25NS — CID 156654944

IUPAC2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine
SMILESc1ccc(-c2cccc3c2sc2c(C45CC6CC(CC(C6)C4)C5)cccc23)nc1
InChIInChI=1S/C27H25NS/c1-2-10-28-24(9-1)22-7-3-5-20-21-6-4-8-23(26(21)29-25(20)22)27-14-17-11-18(15-27)13-19(12-17)16-27/h1-10,17-19H,11-16H2
InChIKeySHWUMHWOWHCHCZ-UHFFFAOYSA-N
MW395.57 g/mol
LogP7.58
Rot. Bonds2

About 2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine

2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine (PubChem CID 156654944) has the molecular formula C27H25NS and a molecular weight of 395.57 g/mol. Its IUPAC name is 2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine.

Molecular Properties

Compound Name2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine
PubChem CID156654944
Molecular FormulaC27H25NS
Molecular Weight395.57 g/mol
Exact Mass395.17
IUPAC Name2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine
SMILESc1ccc(-c2cccc3c2sc2c(C45CC6CC(CC(C6)C4)C5)cccc23)nc1
InChIInChI=1S/C27H25NS/c1-2-10-28-24(9-1)22-7-3-5-20-21-6-4-8-23(26(21)29-25(20)22)27-14-17-11-18(15-27)13-19(12-17)16-27/h1-10,17-19H,11-16H2
InChIKeySHWUMHWOWHCHCZ-UHFFFAOYSA-N
XLogP7.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-(6-pyridin-2-yldibenzothiophen-3-yl)germane
CID 164832342
1-(2-ethenylphenyl)adamantane
CID 57212012
2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine
CID 155612463
2-(8-isocyanodibenzothiophen-4-yl)pyridine
CID 154616023
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
1-(1-adamantyl)-9H-fluorene
CID 141137518
2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine
CID 140899415
4-(1-adamantyl)-2-phenylpyridine;iridium;2-phenylpyridine
CID 156655122
2,6-bis(2-pyridin-2-ylphenyl)phenol
CID 175876654
7'-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,5'-indeno[1,2-b]pyridine]
CID 167268672
2-[3-(1-adamantyl)-2-hydroxyphenyl]naphthalene-1-carboxylic acid
CID 91110592
2-pyridin-2-ylphenol;hydrate
CID 175244966

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine?
The IUPAC name of 2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine (CID 156654944) is 2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine.
What is the SMILES notation for 2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine?
The canonical SMILES for 2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine is c1ccc(-c2cccc3c2sc2c(C45CC6CC(CC(C6)C4)C5)cccc23)nc1.
What is the InChIKey of 2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine?
The InChIKey is SHWUMHWOWHCHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NS/c1-2-10-28-24(9-1)22-7-3-5-20-21-6-4-8-23(26(21)29-25(20)22)27-14-17-11-18(15-27)13-19(12-17)16-27/h1-10,17-19H,11-16H2.
What are the key properties of 2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine?
2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine has a molecular weight of 395.57 g/mol, XLogP of 7.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-adamantyl)dibenzothiophen-4-yl]pyridine is sourced from PubChem (CID 156654944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).