4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine

C27H23NS — CID 165170640

IUPAC4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2sc2cc(-c4cccc(C)c4)ccc23)c1
InChIInChI=1S/C27H23NS/c1-17(2)19-12-13-28-25(15-19)24-9-5-8-23-22-11-10-21(16-26(22)29-27(23)24)20-7-4-6-18(3)14-20/h4-17H,1-3H3/i17D
InChIKeyFVTYBKQDCIQPMI-OKWSDYJOSA-N
MW394.56 g/mol
LogP8.22
Rot. Bonds3

About 4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine

4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine (PubChem CID 165170640) has the molecular formula C27H23NS and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
PubChem CID165170640
Molecular FormulaC27H23NS
Molecular Weight394.56 g/mol
Exact Mass394.16
IUPAC Name4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2sc2cc(-c4cccc(C)c4)ccc23)c1
InChIInChI=1S/C27H23NS/c1-17(2)19-12-13-28-25(15-19)24-9-5-8-23-22-11-10-21(16-26(22)29-27(23)24)20-7-4-6-18(3)14-20/h4-17H,1-3H3/i17D
InChIKeyFVTYBKQDCIQPMI-OKWSDYJOSA-N
XLogP8.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-3-yl]phenyl]germane
CID 164832502
[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
CID 165170727
4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165170798
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-[7-(2,6-dimethylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170725
2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166574431
[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]dibenzothiophen-4-yl]-trimethylgermane
CID 165170806
4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165171153
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-(3-methylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 165171233
4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
CID 165170605
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-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine (CID 165170640) is 4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine is [2H]C(C)(C)c1ccnc(-c2cccc3c2sc2cc(-c4cccc(C)c4)ccc23)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine?
The InChIKey is FVTYBKQDCIQPMI-OKWSDYJOSA-N. The full InChI is InChI=1S/C27H23NS/c1-17(2)19-12-13-28-25(15-19)24-9-5-8-23-22-11-10-21(16-26(22)29-27(23)24)20-7-4-6-18(3)14-20/h4-17H,1-3H3/i17D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine?
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine has a molecular weight of 394.56 g/mol, XLogP of 8.22, 3 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-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine is sourced from PubChem (CID 165170640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).