2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium

C32H20N2O3STb — CID 58978699

IUPAC2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium
SMILESO=C(O)c1ccccc1C(=O)c1ccc2sc3ccccc3c2c1.[Tb].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C20H12O3S.C12H8N2.Tb/c21-19(14-6-1-2-7-15(14)20(22)23)12-9-10-18-16(11-12)13-5-3-4-8-17(13)24-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-11H,(H,22,23);1-8H;
InChIKeyJIHKNPZJHRDOBZ-UHFFFAOYSA-N
MW671.52 g/mol
LogP7.77
Rot. Bonds3

About 2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium

2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium (PubChem CID 58978699) has the molecular formula C32H20N2O3STb and a molecular weight of 671.52 g/mol. Its IUPAC name is 2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium.

Molecular Properties

Compound Name2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium
PubChem CID58978699
Molecular FormulaC32H20N2O3STb
Molecular Weight671.52 g/mol
Exact Mass671.04
IUPAC Name2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium
SMILESO=C(O)c1ccccc1C(=O)c1ccc2sc3ccccc3c2c1.[Tb].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C20H12O3S.C12H8N2.Tb/c21-19(14-6-1-2-7-15(14)20(22)23)12-9-10-18-16(11-12)13-5-3-4-8-17(13)24-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-11H,(H,22,23);1-8H;
InChIKeyJIHKNPZJHRDOBZ-UHFFFAOYSA-N
XLogP7.77
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.52
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium 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-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium?
The IUPAC name of 2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium (CID 58978699) is 2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium.
What is the SMILES notation for 2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium?
The canonical SMILES for 2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium is O=C(O)c1ccccc1C(=O)c1ccc2sc3ccccc3c2c1.[Tb].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium?
The InChIKey is JIHKNPZJHRDOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O3S.C12H8N2.Tb/c21-19(14-6-1-2-7-15(14)20(22)23)12-9-10-18-16(11-12)13-5-3-4-8-17(13)24-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-11H,(H,22,23);1-8H;.
What are the key properties of 2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium?
2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium has a molecular weight of 671.52 g/mol, XLogP of 7.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzothiophene-2-carbonyl)benzoic acid;1,10-phenanthroline;terbium is sourced from PubChem (CID 58978699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).