bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium

C38H42O10U-6 — CID 139174331

IUPACbis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium
SMILESCCO.CCO.CCO.CCO.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.[O-2].[O-2].[U]
InChIInChI=1S/2C15H10O2.4C2H6O.2O.U/c2*16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;4*1-2-3;;;/h2*1-9H,(H,16,17);4*3H,2H2,1H3;;;/q;;;;;;2*-2;/p-2
InChIKeyKKIMLWFZBOFGQF-UHFFFAOYSA-L
MW896.77 g/mol
LogP4.47
Rot. Bonds2

About bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium

bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium (PubChem CID 139174331) has the molecular formula C38H42O10U-6 and a molecular weight of 896.77 g/mol. Its IUPAC name is bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium.

Molecular Properties

Compound Namebis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium
PubChem CID139174331
Molecular FormulaC38H42O10U-6
Molecular Weight896.77 g/mol
Exact Mass896.33
IUPAC Namebis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium
SMILESCCO.CCO.CCO.CCO.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.[O-2].[O-2].[U]
InChIInChI=1S/2C15H10O2.4C2H6O.2O.U/c2*16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;4*1-2-3;;;/h2*1-9H,(H,16,17);4*3H,2H2,1H3;;;/q;;;;;;2*-2;/p-2
InChIKeyKKIMLWFZBOFGQF-UHFFFAOYSA-L
XLogP4.47
TPSA218.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500896.77
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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);ethanol;bis(oxygen(2-));uranium?
The IUPAC name of bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium (CID 139174331) is bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium.
What is the SMILES notation for bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium?
The canonical SMILES for bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium is CCO.CCO.CCO.CCO.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.[O-2].[O-2].[U].
What is the InChIKey of bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium?
The InChIKey is KKIMLWFZBOFGQF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H10O2.4C2H6O.2O.U/c2*16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;4*1-2-3;;;/h2*1-9H,(H,16,17);4*3H,2H2,1H3;;;/q;;;;;;2*-2;/p-2.
What are the key properties of bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium?
bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium has a molecular weight of 896.77 g/mol, XLogP of 4.47, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(anthracene-9-carboxylate);ethanol;bis(oxygen(2-));uranium is sourced from PubChem (CID 139174331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).