4-amino-5,8-diphenylnaphthalene-1-thiol

C22H17NS — CID 145055380

IUPAC4-amino-5,8-diphenylnaphthalene-1-thiol
SMILESNc1ccc(S)c2c(-c3ccccc3)ccc(-c3ccccc3)c12
InChIInChI=1S/C22H17NS/c23-19-13-14-20(24)22-18(16-9-5-2-6-10-16)12-11-17(21(19)22)15-7-3-1-4-8-15/h1-14,24H,23H2
InChIKeyVIXMZWXDJJDMMS-UHFFFAOYSA-N
MW327.45 g/mol
LogP6.04
Rot. Bonds2

About 4-amino-5,8-diphenylnaphthalene-1-thiol

4-amino-5,8-diphenylnaphthalene-1-thiol (PubChem CID 145055380) has the molecular formula C22H17NS and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-amino-5,8-diphenylnaphthalene-1-thiol.

Molecular Properties

Compound Name4-amino-5,8-diphenylnaphthalene-1-thiol
PubChem CID145055380
Molecular FormulaC22H17NS
Molecular Weight327.45 g/mol
Exact Mass327.11
IUPAC Name4-amino-5,8-diphenylnaphthalene-1-thiol
SMILESNc1ccc(S)c2c(-c3ccccc3)ccc(-c3ccccc3)c12
InChIInChI=1S/C22H17NS/c23-19-13-14-20(24)22-18(16-9-5-2-6-10-16)12-11-17(21(19)22)15-7-3-1-4-8-15/h1-14,24H,23H2
InChIKeyVIXMZWXDJJDMMS-UHFFFAOYSA-N
XLogP6.04
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.45
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-amino-5,8-diphenylnaphthalene-1-thiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,8-diphenylnaphthalene-1-thiol?
The IUPAC name of 4-amino-5,8-diphenylnaphthalene-1-thiol (CID 145055380) is 4-amino-5,8-diphenylnaphthalene-1-thiol.
What is the SMILES notation for 4-amino-5,8-diphenylnaphthalene-1-thiol?
The canonical SMILES for 4-amino-5,8-diphenylnaphthalene-1-thiol is Nc1ccc(S)c2c(-c3ccccc3)ccc(-c3ccccc3)c12.
What is the InChIKey of 4-amino-5,8-diphenylnaphthalene-1-thiol?
The InChIKey is VIXMZWXDJJDMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NS/c23-19-13-14-20(24)22-18(16-9-5-2-6-10-16)12-11-17(21(19)22)15-7-3-1-4-8-15/h1-14,24H,23H2.
What are the key properties of 4-amino-5,8-diphenylnaphthalene-1-thiol?
4-amino-5,8-diphenylnaphthalene-1-thiol has a molecular weight of 327.45 g/mol, XLogP of 6.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,8-diphenylnaphthalene-1-thiol is sourced from PubChem (CID 145055380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).