2-thiophen-3-ylphenanthrene-9,10-dione

C18H10O2S — CID 10755924

IUPAC2-thiophen-3-ylphenanthrene-9,10-dione
SMILESO=C1C(=O)c2cc(-c3ccsc3)ccc2-c2ccccc21
InChIInChI=1S/C18H10O2S/c19-17-15-4-2-1-3-13(15)14-6-5-11(9-16(14)18(17)20)12-7-8-21-10-12/h1-10H
InChIKeyJPFQUPJIQQULKP-UHFFFAOYSA-N
MW290.34 g/mol
LogP4.46
Rot. Bonds1

About 2-thiophen-3-ylphenanthrene-9,10-dione

2-thiophen-3-ylphenanthrene-9,10-dione (PubChem CID 10755924) has the molecular formula C18H10O2S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-thiophen-3-ylphenanthrene-9,10-dione.

Molecular Properties

Compound Name2-thiophen-3-ylphenanthrene-9,10-dione
PubChem CID10755924
Molecular FormulaC18H10O2S
Molecular Weight290.34 g/mol
Exact Mass290.04
IUPAC Name2-thiophen-3-ylphenanthrene-9,10-dione
SMILESO=C1C(=O)c2cc(-c3ccsc3)ccc2-c2ccccc21
InChIInChI=1S/C18H10O2S/c19-17-15-4-2-1-3-13(15)14-6-5-11(9-16(14)18(17)20)12-7-8-21-10-12/h1-10H
InChIKeyJPFQUPJIQQULKP-UHFFFAOYSA-N
XLogP4.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-thiophen-3-ylphenanthrene-9,10-dione 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 2-thiophen-3-ylphenanthrene-9,10-dione?
The IUPAC name of 2-thiophen-3-ylphenanthrene-9,10-dione (CID 10755924) is 2-thiophen-3-ylphenanthrene-9,10-dione.
What is the SMILES notation for 2-thiophen-3-ylphenanthrene-9,10-dione?
The canonical SMILES for 2-thiophen-3-ylphenanthrene-9,10-dione is O=C1C(=O)c2cc(-c3ccsc3)ccc2-c2ccccc21.
What is the InChIKey of 2-thiophen-3-ylphenanthrene-9,10-dione?
The InChIKey is JPFQUPJIQQULKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O2S/c19-17-15-4-2-1-3-13(15)14-6-5-11(9-16(14)18(17)20)12-7-8-21-10-12/h1-10H.
What are the key properties of 2-thiophen-3-ylphenanthrene-9,10-dione?
2-thiophen-3-ylphenanthrene-9,10-dione has a molecular weight of 290.34 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylphenanthrene-9,10-dione is sourced from PubChem (CID 10755924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).