tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate

C56H52N6O22Tb2 — CID 139206134

About tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate

tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate (PubChem CID 139206134) has the molecular formula C56H52N6O22Tb2 and a molecular weight of 1478.90 g/mol. Its IUPAC name is tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate.

Molecular Properties

• Compound Name: tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate
• PubChem CID: 139206134
• Molecular Formula: C56H52N6O22Tb2
• Molecular Weight: 1478.90 g/mol
• Exact Mass: 1478.16
• IUPAC Name: tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate
• SMILES: COc1cccc(C(=O)[O-])c1OC.COc1cccc(C(=O)[O-])c1OC.COc1cccc(C(=O)[O-])c1OC.COc1cccc(C(=O)[O-])c1OC.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Tb+3].[Tb+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/2C10H8N2.4C9H10O4.2NO3.2Tb/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-12-7-5-3-4-6(9(10)11)8(7)13-2;2*2-1(3)4;;/h2*1-8H;4*3-5H,1-2H3,(H,10,11);;;;/q;;;;;;2*-1;2*+3/p-4
• InChIKey: IGNKUFWJGCMNAP-UHFFFAOYSA-J
• XLogP: 4.08
• TPSA: 418.32 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1478.90
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate?

The IUPAC name of tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate (CID 139206134) is tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate.

What is the SMILES notation for tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate?

The canonical SMILES for tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate is COc1cccc(C(=O)[O-])c1OC.COc1cccc(C(=O)[O-])c1OC.COc1cccc(C(=O)[O-])c1OC.COc1cccc(C(=O)[O-])c1OC.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Tb+3].[Tb+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate?

The InChIKey is IGNKUFWJGCMNAP-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H8N2.4C9H10O4.2NO3.2Tb/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-12-7-5-3-4-6(9(10)11)8(7)13-2;2*2-1(3)4;;/h2*1-8H;4*3-5H,1-2H3,(H,10,11);;;;/q;;;;;;2*-1;2*+3/p-4.

What are the key properties of tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate?

tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate has a molecular weight of 1478.90 g/mol, XLogP of 4.08, 14 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2,3-dimethoxybenzoate);bis(2-pyridin-2-ylpyridine);bis(terbium(3+));dinitrate is sourced from PubChem (CID 139206134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).