N,9-diphenyldibenzothiophen-2-amine

C24H17NS — CID 139422574

IUPACN,9-diphenyldibenzothiophen-2-amine
SMILESc1ccc(Nc2ccc3sc4cccc(-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C24H17NS/c1-3-8-17(9-4-1)20-12-7-13-23-24(20)21-16-19(14-15-22(21)26-23)25-18-10-5-2-6-11-18/h1-16,25H
InChIKeyHARAGQDOTDXIQW-UHFFFAOYSA-N
MW351.47 g/mol
LogP7.47
Rot. Bonds3

About N,9-diphenyldibenzothiophen-2-amine

N,9-diphenyldibenzothiophen-2-amine (PubChem CID 139422574) has the molecular formula C24H17NS and a molecular weight of 351.47 g/mol. Its IUPAC name is N,9-diphenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN,9-diphenyldibenzothiophen-2-amine
PubChem CID139422574
Molecular FormulaC24H17NS
Molecular Weight351.47 g/mol
Exact Mass351.11
IUPAC NameN,9-diphenyldibenzothiophen-2-amine
SMILESc1ccc(Nc2ccc3sc4cccc(-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C24H17NS/c1-3-8-17(9-4-1)20-12-7-13-23-24(20)21-16-19(14-15-22(21)26-23)25-18-10-5-2-6-11-18/h1-16,25H
InChIKeyHARAGQDOTDXIQW-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

4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
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
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
3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
CID 139380088
N,1-diphenyldibenzothiophen-3-amine
CID 170046068
1-phenyldibenzothiophene;hydrobromide
CID 174679709
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,9-diphenyldibenzofuran-3-amine
CID 156790002
N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163448501
N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
1-(4-methylphenyl)-8-triphenylen-2-yldibenzothiophene
CID 145447926

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyldibenzothiophen-2-amine?
The IUPAC name of N,9-diphenyldibenzothiophen-2-amine (CID 139422574) is N,9-diphenyldibenzothiophen-2-amine.
What is the SMILES notation for N,9-diphenyldibenzothiophen-2-amine?
The canonical SMILES for N,9-diphenyldibenzothiophen-2-amine is c1ccc(Nc2ccc3sc4cccc(-c5ccccc5)c4c3c2)cc1.
What is the InChIKey of N,9-diphenyldibenzothiophen-2-amine?
The InChIKey is HARAGQDOTDXIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NS/c1-3-8-17(9-4-1)20-12-7-13-23-24(20)21-16-19(14-15-22(21)26-23)25-18-10-5-2-6-11-18/h1-16,25H.
What are the key properties of N,9-diphenyldibenzothiophen-2-amine?
N,9-diphenyldibenzothiophen-2-amine 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 N,9-diphenyldibenzothiophen-2-amine is sourced from PubChem (CID 139422574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).