tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate

C70H89Cr4DyN14O43 — CID 139177344

IUPACtetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate
SMILESCC(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cr+3].[Cr+3].[Cr+3].[Cr+3].[Dy+3].[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1
InChIInChI=1S/4C11H8N2O2.4C6H5NO2.C2H4O2.4Cr.Dy.2NO3.19H2O/c4*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*8-6(9)5-3-1-2-4-7-5;1-2(3)4;;;;;;2*2-1(3)4;;;;;;;;;;;;;;;;;;;/h4*1-8H;4*1-4H,(H,8,9);1H3,(H,3,4);;;;;;;;19*1H2/q4*-2;;;;;;5*+3;2*-1;;;;;;;;;;;;;;;;;;;/p-5
InChIKeyZYALXQRXMUVTDO-UHFFFAOYSA-I
MW2185.02 g/mol
LogP-22.03
Rot. Bonds12

About tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate

tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate (PubChem CID 139177344) has the molecular formula C70H89Cr4DyN14O43 and a molecular weight of 2185.02 g/mol. Its IUPAC name is tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate.

Molecular Properties

Compound Nametetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate
PubChem CID139177344
Molecular FormulaC70H89Cr4DyN14O43
Molecular Weight2185.02 g/mol
Exact Mass2185.21
IUPAC Nametetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate
SMILESCC(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cr+3].[Cr+3].[Cr+3].[Cr+3].[Dy+3].[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1
InChIInChI=1S/4C11H8N2O2.4C6H5NO2.C2H4O2.4Cr.Dy.2NO3.19H2O/c4*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*8-6(9)5-3-1-2-4-7-5;1-2(3)4;;;;;;2*2-1(3)4;;;;;;;;;;;;;;;;;;;/h4*1-8H;4*1-4H,(H,8,9);1H3,(H,3,4);;;;;;;;19*1H2/q4*-2;;;;;;5*+3;2*-1;;;;;;;;;;;;;;;;;;;/p-5
InChIKeyZYALXQRXMUVTDO-UHFFFAOYSA-I
XLogP-22.03
TPSA1270.71 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds12
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002185.02
LogP ≤ 5-22.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate 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 tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate?
The IUPAC name of tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate (CID 139177344) is tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate.
What is the SMILES notation for tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate?
The canonical SMILES for tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate is CC(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cr+3].[Cr+3].[Cr+3].[Cr+3].[Dy+3].[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.
What is the InChIKey of tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate?
The InChIKey is ZYALXQRXMUVTDO-UHFFFAOYSA-I. The full InChI is InChI=1S/4C11H8N2O2.4C6H5NO2.C2H4O2.4Cr.Dy.2NO3.19H2O/c4*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*8-6(9)5-3-1-2-4-7-5;1-2(3)4;;;;;;2*2-1(3)4;;;;;;;;;;;;;;;;;;;/h4*1-8H;4*1-4H,(H,8,9);1H3,(H,3,4);;;;;;;;19*1H2/q4*-2;;;;;;5*+3;2*-1;;;;;;;;;;;;;;;;;;;/p-5.
What are the key properties of tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate?
tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate has a molecular weight of 2185.02 g/mol, XLogP of -22.03, 12 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(chromium(3+));tetrakis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(pyridine-2-carboxylate);acetate;dinitrate;nonadecahydrate is sourced from PubChem (CID 139177344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).