bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)

C34H24F2N4Np2O8-10 — CID 139071396

IUPACbis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.[Np].[Np].[O-2].[O-2].[O-2].[O-2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C7H5FO2.2Np.4O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-4-2-1-3-5(6)7(9)10;;;;;;/h2*1-8H;2*1-4H,(H,9,10);;;;;;/q;;;;;;4*-2/p-2
InChIKeyJCDVLVAWYXJWHT-UHFFFAOYSA-L
MW1128.58 g/mol
LogP4.19
Rot. Bonds4

About bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)

bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine) (PubChem CID 139071396) has the molecular formula C34H24F2N4Np2O8-10 and a molecular weight of 1128.58 g/mol. Its IUPAC name is bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namebis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)
PubChem CID139071396
Molecular FormulaC34H24F2N4Np2O8-10
Molecular Weight1128.58 g/mol
Exact Mass1126.25
IUPAC Namebis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.[Np].[Np].[O-2].[O-2].[O-2].[O-2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C7H5FO2.2Np.4O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-4-2-1-3-5(6)7(9)10;;;;;;/h2*1-8H;2*1-4H,(H,9,10);;;;;;/q;;;;;;4*-2/p-2
InChIKeyJCDVLVAWYXJWHT-UHFFFAOYSA-L
XLogP4.19
TPSA245.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001128.58
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
Tetraoxidanium;bis(4-[2-(4-carboxylatophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoate);bis(nickel(2+));bis(2-pyridin-2-ylpyridine)
CID 168354232
2-(4-Carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 168344486
4-[6-[5-(4-Carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium;tetrachlorohafnium;chloride
CID 160136264
4-[6-[5-(4-Carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 169055341
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;methyl 4-[6-[5-(4-methoxycarbonylphenyl)-2-pyridinyl]-3-pyridinyl]benzoate
CID 169055346
4-[18-(4-Carboxyphenyl)-8',10',24,26-tetrafluoro-3',5-bis(trifluoromethyl)spiro[7,9,20-triazoniapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaene-21,6'-pyrido[2,1-a]isoindol-5-ium]-11-yl]benzoic acid
CID 170396505
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;methyl 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate
CID 171721110
Bis(2-[3,4-difluoro-2-(trifluoromethyl)phenyl]pyridine);iridium(3+);tris(pyridine-2-carboxylate)
CID 175869369
Benzoic acid;manganese;tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 15377128
6-(6-Carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)
CID 56684304
3,5-Bis(2,2'-bipyridin-4-ylethynyl)benzoic acid
CID 102584347

Frequently Asked Questions

What is the IUPAC name of bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)?
The IUPAC name of bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine) (CID 139071396) is bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine) is O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.[Np].[Np].[O-2].[O-2].[O-2].[O-2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)?
The InChIKey is JCDVLVAWYXJWHT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2C7H5FO2.2Np.4O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-4-2-1-3-5(6)7(9)10;;;;;;/h2*1-8H;2*1-4H,(H,9,10);;;;;;/q;;;;;;4*-2/p-2.
What are the key properties of bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)?
bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine) has a molecular weight of 1128.58 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluorobenzoate);neptunium;tetrakis(oxygen(2-));bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139071396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).