dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate

C30H30DyN9O15 — CID 139079960

IUPACdysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate
SMILESO.O.O.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Dy+3].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1
InChIInChI=1S/3C7H5NO4.3C3H4N2.Dy.3H2O/c3*9-6(10)4-2-1-3-5(8-4)7(11)12;3*1-2-5-3-4-1;;;;/h3*1-3H,(H,9,10)(H,11,12);3*1-3H,(H,4,5);;3*1H2/q;;;;;;+3;;;/p-3
InChIKeyANFPVSOCVMCFBE-UHFFFAOYSA-K
MW919.12 g/mol
LogP-9.56
Rot. Bonds6

About dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate

dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate (PubChem CID 139079960) has the molecular formula C30H30DyN9O15 and a molecular weight of 919.12 g/mol. Its IUPAC name is dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate.

Molecular Properties

Compound Namedysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate
PubChem CID139079960
Molecular FormulaC30H30DyN9O15
Molecular Weight919.12 g/mol
Exact Mass920.12
IUPAC Namedysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate
SMILESO.O.O.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Dy+3].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1
InChIInChI=1S/3C7H5NO4.3C3H4N2.Dy.3H2O/c3*9-6(10)4-2-1-3-5(8-4)7(11)12;3*1-2-5-3-4-1;;;;/h3*1-3H,(H,9,10)(H,11,12);3*1-3H,(H,4,5);;3*1H2/q;;;;;;+3;;;/p-3
InChIKeyANFPVSOCVMCFBE-UHFFFAOYSA-K
XLogP-9.56
TPSA463.74 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.12
LogP ≤ 5-9.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate 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 dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate?
The IUPAC name of dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate (CID 139079960) is dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate.
What is the SMILES notation for dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate?
The canonical SMILES for dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate is O.O.O.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Dy+3].c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.c1c[nH+]c[nH]1.
What is the InChIKey of dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate?
The InChIKey is ANFPVSOCVMCFBE-UHFFFAOYSA-K. The full InChI is InChI=1S/3C7H5NO4.3C3H4N2.Dy.3H2O/c3*9-6(10)4-2-1-3-5(8-4)7(11)12;3*1-2-5-3-4-1;;;;/h3*1-3H,(H,9,10)(H,11,12);3*1-3H,(H,4,5);;3*1H2/q;;;;;;+3;;;/p-3.
What are the key properties of dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate?
dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate has a molecular weight of 919.12 g/mol, XLogP of -9.56, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dysprosium(3+);tris(1H-imidazol-3-ium);tris(pyridine-2,6-dicarboxylate);trihydrate is sourced from PubChem (CID 139079960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).