N-triphenylen-2-yl-1-benzothiophen-3-amine

C26H17NS — CID 171751374

IUPACN-triphenylen-2-yl-1-benzothiophen-3-amine
SMILESc1ccc2c(Nc3ccc4c5ccccc5c5ccccc5c4c3)csc2c1
InChIInChI=1S/C26H17NS/c1-2-9-20-18(7-1)19-8-3-4-10-21(19)24-15-17(13-14-22(20)24)27-25-16-28-26-12-6-5-11-23(25)26/h1-16,27H
InChIKeyZGTZKIYBODEUSV-UHFFFAOYSA-N
MW375.50 g/mol
LogP8.10
Rot. Bonds2

About N-triphenylen-2-yl-1-benzothiophen-3-amine

N-triphenylen-2-yl-1-benzothiophen-3-amine (PubChem CID 171751374) has the molecular formula C26H17NS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-triphenylen-2-yl-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-triphenylen-2-yl-1-benzothiophen-3-amine
PubChem CID171751374
Molecular FormulaC26H17NS
Molecular Weight375.50 g/mol
Exact Mass375.11
IUPAC NameN-triphenylen-2-yl-1-benzothiophen-3-amine
SMILESc1ccc2c(Nc3ccc4c5ccccc5c5ccccc5c4c3)csc2c1
InChIInChI=1S/C26H17NS/c1-2-9-20-18(7-1)19-8-3-4-10-21(19)24-15-17(13-14-22(20)24)27-25-16-28-26-12-6-5-11-23(25)26/h1-16,27H
InChIKeyZGTZKIYBODEUSV-UHFFFAOYSA-N
XLogP8.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-1-benzothiophen-3-amine
CID 45270419
N-(1-benzothiophen-3-yl)pyridin-2-amine
CID 19360249
2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine
CID 144681198
2-(1-benzothiophen-3-ylamino)benzoic acid
CID 125468623
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
N-triphenylen-2-yl-1-benzofuran-3-amine
CID 171751242
[6-(1-benzothiophen-3-ylamino)pyrimidin-4-yl]cyanamide
CID 115264535
2-N-(1-benzothiophen-3-yl)-3-fluorobenzene-1,2-diamine
CID 115125641
N-triphenylen-2-yldibenzofuran-1-amine
CID 162427617
3-methyl-1-benzothiophene;zinc
CID 70563074
N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine
CID 131233393
3-(1-benzothiophen-3-ylamino)propane-1,2-diol
CID 115121939

Frequently Asked Questions

What is the IUPAC name of N-triphenylen-2-yl-1-benzothiophen-3-amine?
The IUPAC name of N-triphenylen-2-yl-1-benzothiophen-3-amine (CID 171751374) is N-triphenylen-2-yl-1-benzothiophen-3-amine.
What is the SMILES notation for N-triphenylen-2-yl-1-benzothiophen-3-amine?
The canonical SMILES for N-triphenylen-2-yl-1-benzothiophen-3-amine is c1ccc2c(Nc3ccc4c5ccccc5c5ccccc5c4c3)csc2c1.
What is the InChIKey of N-triphenylen-2-yl-1-benzothiophen-3-amine?
The InChIKey is ZGTZKIYBODEUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NS/c1-2-9-20-18(7-1)19-8-3-4-10-21(19)24-15-17(13-14-22(20)24)27-25-16-28-26-12-6-5-11-23(25)26/h1-16,27H.
What are the key properties of N-triphenylen-2-yl-1-benzothiophen-3-amine?
N-triphenylen-2-yl-1-benzothiophen-3-amine has a molecular weight of 375.50 g/mol, XLogP of 8.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-triphenylen-2-yl-1-benzothiophen-3-amine is sourced from PubChem (CID 171751374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).