3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine

C22H19NS — CID 102475824

IUPAC3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine
SMILESCCC1(c2ccccc2)S/C(=N\c2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NS/c1-2-22(17-11-5-3-6-12-17)20-16-10-9-15-19(20)21(24-22)23-18-13-7-4-8-14-18/h3-16H,2H2,1H3/b23-21-
InChIKeyQDUWALSIDTVBGZ-LNVKXUELSA-N
MW329.47 g/mol
LogP6.17
Rot. Bonds3

About 3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine

3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine (PubChem CID 102475824) has the molecular formula C22H19NS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine.

Molecular Properties

Compound Name3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine
PubChem CID102475824
Molecular FormulaC22H19NS
Molecular Weight329.47 g/mol
Exact Mass329.12
IUPAC Name3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine
SMILESCCC1(c2ccccc2)S/C(=N\c2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NS/c1-2-22(17-11-5-3-6-12-17)20-16-10-9-15-19(20)21(24-22)23-18-13-7-4-8-14-18/h3-16H,2H2,1H3/b23-21-
InChIKeyQDUWALSIDTVBGZ-LNVKXUELSA-N
XLogP6.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-diphenylfluorene;propane
CID 158205050
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methoxymethane
CID 143139467
9-ethyl-9-propan-2-ylfluorene
CID 142424661
N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane
CID 161344011
4-methyl-9,9-diphenylfluorene
CID 123595050
4-(9-phenylfluoren-9-yl)benzenethiol
CID 58769505
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine?
The IUPAC name of 3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine (CID 102475824) is 3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine.
What is the SMILES notation for 3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine?
The canonical SMILES for 3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine is CCC1(c2ccccc2)S/C(=N\c2ccccc2)c2ccccc21.
What is the InChIKey of 3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine?
The InChIKey is QDUWALSIDTVBGZ-LNVKXUELSA-N. The full InChI is InChI=1S/C22H19NS/c1-2-22(17-11-5-3-6-12-17)20-16-10-9-15-19(20)21(24-22)23-18-13-7-4-8-14-18/h3-16H,2H2,1H3/b23-21-.
What are the key properties of 3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine?
3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine has a molecular weight of 329.47 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,3-diphenyl-2-benzothiophen-1-imine is sourced from PubChem (CID 102475824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).