bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium

C36H40O14U2-12 — CID 139174332

IUPACbis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium
SMILESCO.CO.CO.CO.C[O-].C[O-].O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.[O-2].[O-2].[O-2].[O-2].[U].[U]
InChIInChI=1S/2C15H10O2.4CH4O.2CH3O.4O.2U/c2*16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;6*1-2;;;;;;/h2*1-9H,(H,16,17);4*2H,1H3;2*1H3;;;;;;/q;;;;;;2*-1;4*-2;;/p-2
InChIKeyXSQWDAGNZASVGA-UHFFFAOYSA-L
MW1172.76 g/mol
LogP0.62
Rot. Bonds2

About bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium

bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium (PubChem CID 139174332) has the molecular formula C36H40O14U2-12 and a molecular weight of 1172.76 g/mol. Its IUPAC name is bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium.

Molecular Properties

Compound Namebis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium
PubChem CID139174332
Molecular FormulaC36H40O14U2-12
Molecular Weight1172.76 g/mol
Exact Mass1172.35
IUPAC Namebis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium
SMILESCO.CO.CO.CO.C[O-].C[O-].O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.[O-2].[O-2].[O-2].[O-2].[U].[U]
InChIInChI=1S/2C15H10O2.4CH4O.2CH3O.4O.2U/c2*16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;6*1-2;;;;;;/h2*1-9H,(H,16,17);4*2H,1H3;2*1H3;;;;;;/q;;;;;;2*-1;4*-2;;/p-2
InChIKeyXSQWDAGNZASVGA-UHFFFAOYSA-L
XLogP0.62
TPSA321.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001172.76
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium?
The IUPAC name of bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium (CID 139174332) is bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium.
What is the SMILES notation for bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium?
The canonical SMILES for bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium is CO.CO.CO.CO.C[O-].C[O-].O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.[O-2].[O-2].[O-2].[O-2].[U].[U].
What is the InChIKey of bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium?
The InChIKey is XSQWDAGNZASVGA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H10O2.4CH4O.2CH3O.4O.2U/c2*16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;6*1-2;;;;;;/h2*1-9H,(H,16,17);4*2H,1H3;2*1H3;;;;;;/q;;;;;;2*-1;4*-2;;/p-2.
What are the key properties of bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium?
bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium has a molecular weight of 1172.76 g/mol, XLogP of 0.62, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(anthracene-9-carboxylate);methanol;methanolate;tetrakis(oxygen(2-));uranium is sourced from PubChem (CID 139174332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).