N-phenyldibenzothiophen-1-amine

C18H13NS — CID 126538366

IUPACN-phenyldibenzothiophen-1-amine
SMILESc1ccc(Nc2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C18H13NS/c1-2-7-13(8-3-1)19-15-10-6-12-17-18(15)14-9-4-5-11-16(14)20-17/h1-12,19H
InChIKeyDNQOQSBHURVONR-UHFFFAOYSA-N
MW275.38 g/mol
LogP5.80
Rot. Bonds2

About N-phenyldibenzothiophen-1-amine

N-phenyldibenzothiophen-1-amine (PubChem CID 126538366) has the molecular formula C18H13NS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-phenyldibenzothiophen-1-amine
PubChem CID126538366
Molecular FormulaC18H13NS
Molecular Weight275.38 g/mol
Exact Mass275.08
IUPAC NameN-phenyldibenzothiophen-1-amine
SMILESc1ccc(Nc2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C18H13NS/c1-2-7-13(8-3-1)19-15-10-6-12-17-18(15)14-9-4-5-11-16(14)20-17/h1-12,19H
InChIKeyDNQOQSBHURVONR-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.38
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 168799176
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
CID 177113902
3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine
CID 164932243
N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine
CID 165071492
N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333073
N,1-diphenyldibenzothiophen-3-amine
CID 170046068
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine
CID 156683739
N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 157309066
1-methyldibenzothiophene
CID 23839
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535

Frequently Asked Questions

What is the IUPAC name of N-phenyldibenzothiophen-1-amine?
The IUPAC name of N-phenyldibenzothiophen-1-amine (CID 126538366) is N-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-phenyldibenzothiophen-1-amine is c1ccc(Nc2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-phenyldibenzothiophen-1-amine?
The InChIKey is DNQOQSBHURVONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NS/c1-2-7-13(8-3-1)19-15-10-6-12-17-18(15)14-9-4-5-11-16(14)20-17/h1-12,19H.
What are the key properties of N-phenyldibenzothiophen-1-amine?
N-phenyldibenzothiophen-1-amine has a molecular weight of 275.38 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 126538366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).