methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)

C54H44F12N6O14Tb2 — CID 139140582

IUPACmethanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
SMILESCC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.CO.CO.O=C([O-])c1cccc(-c2cccc(-c3ccccn3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3ccccn3)n2)n1.[Tb+3].[Tb+3]
InChIInChI=1S/2C16H11N3O2.4C5H5F3O2.2CH4O.2Tb/c2*20-16(21)15-9-4-8-14(19-15)13-7-3-6-12(18-13)11-5-1-2-10-17-11;4*1-3(9)2-4(10)5(6,7)8;2*1-2;;/h2*1-10H,(H,20,21);4*2,10H,1H3;2*2H,1H3;;/q;;;;;;;;2*+3/p-6/b;;4*4-2-;;;;
InChIKeyFREORGPIHSPLAF-GZMZKTFMSA-H
MW1546.80 g/mol
LogP3.88
Rot. Bonds10

About methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)

methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate) (PubChem CID 139140582) has the molecular formula C54H44F12N6O14Tb2 and a molecular weight of 1546.80 g/mol. Its IUPAC name is methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate).

Molecular Properties

Compound Namemethanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
PubChem CID139140582
Molecular FormulaC54H44F12N6O14Tb2
Molecular Weight1546.80 g/mol
Exact Mass1546.12
IUPAC Namemethanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
SMILESCC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.CO.CO.O=C([O-])c1cccc(-c2cccc(-c3ccccn3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3ccccn3)n2)n1.[Tb+3].[Tb+3]
InChIInChI=1S/2C16H11N3O2.4C5H5F3O2.2CH4O.2Tb/c2*20-16(21)15-9-4-8-14(19-15)13-7-3-6-12(18-13)11-5-1-2-10-17-11;4*1-3(9)2-4(10)5(6,7)8;2*1-2;;/h2*1-10H,(H,20,21);4*2,10H,1H3;2*2H,1H3;;/q;;;;;;;;2*+3/p-6/b;;4*4-2-;;;;
InChIKeyFREORGPIHSPLAF-GZMZKTFMSA-H
XLogP3.88
TPSA358.58 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001546.80
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 139056918
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)
CID 139080605
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate
CID 71528602
indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 2775146
magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 44717569
praseodymium(3+);1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 53395449
1-(6-pyridin-2-yl-2-pyridinyl)but-2-yn-1-one
CID 135252428
magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate
CID 56776511
bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate
CID 139203194
europium(3+);pyridine-2-carboxylate
CID 172810679

Frequently Asked Questions

What is the IUPAC name of methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)?
The IUPAC name of methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate) (CID 139140582) is methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate).
What is the SMILES notation for methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)?
The canonical SMILES for methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate) is CC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.CO.CO.O=C([O-])c1cccc(-c2cccc(-c3ccccn3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3ccccn3)n2)n1.[Tb+3].[Tb+3].
What is the InChIKey of methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)?
The InChIKey is FREORGPIHSPLAF-GZMZKTFMSA-H. The full InChI is InChI=1S/2C16H11N3O2.4C5H5F3O2.2CH4O.2Tb/c2*20-16(21)15-9-4-8-14(19-15)13-7-3-6-12(18-13)11-5-1-2-10-17-11;4*1-3(9)2-4(10)5(6,7)8;2*1-2;;/h2*1-10H,(H,20,21);4*2,10H,1H3;2*2H,1H3;;/q;;;;;;;;2*+3/p-6/b;;4*4-2-;;;;.
What are the key properties of methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)?
methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate) has a molecular weight of 1546.80 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate) is sourced from PubChem (CID 139140582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).