N-dibenzothiophen-3-ylpyridin-4-amine

C17H12N2S — CID 137471578

IUPACN-dibenzothiophen-3-ylpyridin-4-amine
SMILESc1ccc2c(c1)sc1cc(Nc3ccncc3)ccc12
InChIInChI=1S/C17H12N2S/c1-2-4-16-14(3-1)15-6-5-13(11-17(15)20-16)19-12-7-9-18-10-8-12/h1-11H,(H,18,19)
InChIKeyUCUPZFMQTRRECG-UHFFFAOYSA-N
MW276.36 g/mol
LogP5.19
Rot. Bonds2

About N-dibenzothiophen-3-ylpyridin-4-amine

N-dibenzothiophen-3-ylpyridin-4-amine (PubChem CID 137471578) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-dibenzothiophen-3-ylpyridin-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-ylpyridin-4-amine
PubChem CID137471578
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC NameN-dibenzothiophen-3-ylpyridin-4-amine
SMILESc1ccc2c(c1)sc1cc(Nc3ccncc3)ccc12
InChIInChI=1S/C17H12N2S/c1-2-4-16-14(3-1)15-6-5-13(11-17(15)20-16)19-12-7-9-18-10-8-12/h1-11H,(H,18,19)
InChIKeyUCUPZFMQTRRECG-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.36
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenanthren-2-yldibenzothiophen-3-amine
CID 166647228
N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 166918168
N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine
CID 155205215
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]dibenzothiophen-3-amine
CID 144963579
3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
CID 139380088
3-iododibenzothiophene
CID 86150547
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 126621948
8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 129194325
N-(9-oxothioxanthen-3-yl)acetamide
CID 139971728
N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine
CID 22024188
N-(4-cyclohexylphenyl)dibenzothiophen-2-amine
CID 174329595

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-ylpyridin-4-amine?
The IUPAC name of N-dibenzothiophen-3-ylpyridin-4-amine (CID 137471578) is N-dibenzothiophen-3-ylpyridin-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-ylpyridin-4-amine?
The canonical SMILES for N-dibenzothiophen-3-ylpyridin-4-amine is c1ccc2c(c1)sc1cc(Nc3ccncc3)ccc12.
What is the InChIKey of N-dibenzothiophen-3-ylpyridin-4-amine?
The InChIKey is UCUPZFMQTRRECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c1-2-4-16-14(3-1)15-6-5-13(11-17(15)20-16)19-12-7-9-18-10-8-12/h1-11H,(H,18,19).
What are the key properties of N-dibenzothiophen-3-ylpyridin-4-amine?
N-dibenzothiophen-3-ylpyridin-4-amine has a molecular weight of 276.36 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-ylpyridin-4-amine is sourced from PubChem (CID 137471578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).