4-dibenzothiophen-1-yl-N-phenylaniline

C24H17NS — CID 134240778

IUPAC4-dibenzothiophen-1-yl-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C24H17NS/c1-2-7-18(8-3-1)25-19-15-13-17(14-16-19)20-10-6-12-23-24(20)21-9-4-5-11-22(21)26-23/h1-16,25H
InChIKeyHWZNIQGGCNYCME-UHFFFAOYSA-N
MW351.47 g/mol
LogP7.47
Rot. Bonds3

About 4-dibenzothiophen-1-yl-N-phenylaniline

4-dibenzothiophen-1-yl-N-phenylaniline (PubChem CID 134240778) has the molecular formula C24H17NS and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-dibenzothiophen-1-yl-N-phenylaniline.

Molecular Properties

Compound Name4-dibenzothiophen-1-yl-N-phenylaniline
PubChem CID134240778
Molecular FormulaC24H17NS
Molecular Weight351.47 g/mol
Exact Mass351.11
IUPAC Name4-dibenzothiophen-1-yl-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C24H17NS/c1-2-7-18(8-3-1)25-19-15-13-17(14-16-19)20-10-6-12-23-24(20)21-9-4-5-11-22(21)26-23/h1-16,25H
InChIKeyHWZNIQGGCNYCME-UHFFFAOYSA-N
XLogP7.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,9-diphenyldibenzothiophen-2-amine
CID 139422574
1-phenyldibenzothiophene;hydrobromide
CID 174679709
3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline
CID 167592386
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 169073524
1-(4-fluorophenyl)dibenzothiophene
CID 21111722
N,1-diphenyldibenzothiophen-3-amine
CID 170046068
N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333073
N-phenyldibenzothiophen-1-amine
CID 126538366
(4-dibenzothiophen-1-ylphenyl)methanamine
CID 153362309
1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
1-[4-(trifluoromethyl)phenyl]dibenzothiophene
CID 158974890

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-1-yl-N-phenylaniline?
The IUPAC name of 4-dibenzothiophen-1-yl-N-phenylaniline (CID 134240778) is 4-dibenzothiophen-1-yl-N-phenylaniline.
What is the SMILES notation for 4-dibenzothiophen-1-yl-N-phenylaniline?
The canonical SMILES for 4-dibenzothiophen-1-yl-N-phenylaniline is c1ccc(Nc2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-dibenzothiophen-1-yl-N-phenylaniline?
The InChIKey is HWZNIQGGCNYCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NS/c1-2-7-18(8-3-1)25-19-15-13-17(14-16-19)20-10-6-12-23-24(20)21-9-4-5-11-22(21)26-23/h1-16,25H.
What are the key properties of 4-dibenzothiophen-1-yl-N-phenylaniline?
4-dibenzothiophen-1-yl-N-phenylaniline has a molecular weight of 351.47 g/mol, XLogP of 7.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-1-yl-N-phenylaniline is sourced from PubChem (CID 134240778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).