2-dibenzothiophen-4-ylaniline

C18H13NS — CID 58050240

IUPAC2-dibenzothiophen-4-ylaniline
SMILESNc1ccccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C18H13NS/c19-16-10-3-1-6-12(16)14-8-5-9-15-13-7-2-4-11-17(13)20-18(14)15/h1-11H,19H2
InChIKeyAWGHPVPZPWXNBK-UHFFFAOYSA-N
MW275.38 g/mol
LogP5.30
Rot. Bonds1

About 2-dibenzothiophen-4-ylaniline

2-dibenzothiophen-4-ylaniline (PubChem CID 58050240) has the molecular formula C18H13NS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-dibenzothiophen-4-ylaniline.

Molecular Properties

Compound Name2-dibenzothiophen-4-ylaniline
PubChem CID58050240
Molecular FormulaC18H13NS
Molecular Weight275.38 g/mol
Exact Mass275.08
IUPAC Name2-dibenzothiophen-4-ylaniline
SMILESNc1ccccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C18H13NS/c19-16-10-3-1-6-12(16)14-8-5-9-15-13-7-2-4-11-17(13)20-18(14)15/h1-11H,19H2
InChIKeyAWGHPVPZPWXNBK-UHFFFAOYSA-N
XLogP5.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.38
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
CID 70332107
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
6-phenyldibenzothiophen-1-amine
CID 154950359
4-(2-isocyanophenyl)dibenzothiophene
CID 170460075
4-(2-bromo-3-chlorophenyl)dibenzothiophene
CID 129023068
3-dibenzothiophen-4-yl-2-(1,2,7,8-tetrahydrocarbazol-9-yl)aniline
CID 126596666
4,7-di(dibenzothiophen-4-yl)-2-phenyl-1,3-benzothiazole
CID 121425689
4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline
CID 87350146
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 176824680

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-ylaniline?
The IUPAC name of 2-dibenzothiophen-4-ylaniline (CID 58050240) is 2-dibenzothiophen-4-ylaniline.
What is the SMILES notation for 2-dibenzothiophen-4-ylaniline?
The canonical SMILES for 2-dibenzothiophen-4-ylaniline is Nc1ccccc1-c1cccc2c1sc1ccccc12.
What is the InChIKey of 2-dibenzothiophen-4-ylaniline?
The InChIKey is AWGHPVPZPWXNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NS/c19-16-10-3-1-6-12(16)14-8-5-9-15-13-7-2-4-11-17(13)20-18(14)15/h1-11H,19H2.
What are the key properties of 2-dibenzothiophen-4-ylaniline?
2-dibenzothiophen-4-ylaniline has a molecular weight of 275.38 g/mol, XLogP of 5.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-ylaniline is sourced from PubChem (CID 58050240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).