6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine

C22H15N3S — CID 102496572

IUPAC6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(Nc2cccc(-c3cccc4c3sc3ccccc34)n2)nc1
InChIInChI=1S/C22H15N3S/c1-2-11-19-15(7-1)16-8-5-9-17(22(16)26-19)18-10-6-13-21(24-18)25-20-12-3-4-14-23-20/h1-14H,(H,23,24,25)
InChIKeyPSWILNUYHDSZIU-UHFFFAOYSA-N
MW353.45 g/mol
LogP6.26
Rot. Bonds3

About 6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine

6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine (PubChem CID 102496572) has the molecular formula C22H15N3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine
PubChem CID102496572
Molecular FormulaC22H15N3S
Molecular Weight353.45 g/mol
Exact Mass353.10
IUPAC Name6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(Nc2cccc(-c3cccc4c3sc3ccccc34)n2)nc1
InChIInChI=1S/C22H15N3S/c1-2-11-19-15(7-1)16-8-5-9-17(22(16)26-19)18-10-6-13-21(24-18)25-20-12-3-4-14-23-20/h1-14H,(H,23,24,25)
InChIKeyPSWILNUYHDSZIU-UHFFFAOYSA-N
XLogP6.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 130262550
4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyrimidine
CID 155078239
N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121261358
2-dibenzothiophen-4-yl-9-[3-(9-dibenzothiophen-4-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050285
trimethyl-(6-pyridin-2-yldibenzothiophen-3-yl)germane
CID 164832342
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)pyrimidine
CID 155079114
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261959
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2-(8-isocyanodibenzothiophen-4-yl)pyridine
CID 154616023
4-benzyl-2-dibenzothiophen-4-ylpyridine
CID 162707665
2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine
CID 155612463
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine (CID 102496572) is 6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine is c1ccc(Nc2cccc(-c3cccc4c3sc3ccccc34)n2)nc1.
What is the InChIKey of 6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is PSWILNUYHDSZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3S/c1-2-11-19-15(7-1)16-8-5-9-17(22(16)26-19)18-10-6-13-21(24-18)25-20-12-3-4-14-23-20/h1-14H,(H,23,24,25).
What are the key properties of 6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine?
6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 353.45 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 102496572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).