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

C62H48O16U2-12 — CID 139174333

IUPACtetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate
SMILESCO.CO.O.O.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.[O-2].[O-2].[O-2].[O-2].[U].[U]
InChIInChI=1S/4C15H10O2.2CH4O.2H2O.4O.2U/c4*16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;2*1-2;;;;;;;;/h4*1-9H,(H,16,17);2*2H,1H3;2*1H2;;;;;;/q;;;;;;;;4*-2;;/p-4
InChIKeyVDGQLFFOZVLQPQ-UHFFFAOYSA-J
MW1525.11 g/mol
LogP6.52
Rot. Bonds4

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

tetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate (PubChem CID 139174333) has the molecular formula C62H48O16U2-12 and a molecular weight of 1525.11 g/mol. Its IUPAC name is tetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate.

Molecular Properties

Compound Nametetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate
PubChem CID139174333
Molecular FormulaC62H48O16U2-12
Molecular Weight1525.11 g/mol
Exact Mass1524.40
IUPAC Nametetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate
SMILESCO.CO.O.O.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.[O-2].[O-2].[O-2].[O-2].[U].[U]
InChIInChI=1S/4C15H10O2.2CH4O.2H2O.4O.2U/c4*16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;2*1-2;;;;;;;;/h4*1-9H,(H,16,17);2*2H,1H3;2*1H2;;;;;;/q;;;;;;;;4*-2;;/p-4
InChIKeyVDGQLFFOZVLQPQ-UHFFFAOYSA-J
XLogP6.52
TPSA377.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001525.11
LogP ≤ 56.52
H-Bond Donors ≤ 52
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 tetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate?
The IUPAC name of tetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate (CID 139174333) is tetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate.
What is the SMILES notation for tetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate?
The canonical SMILES for tetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate is CO.CO.O.O.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1c2ccccc2cc2ccccc12.[O-2].[O-2].[O-2].[O-2].[U].[U].
What is the InChIKey of tetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate?
The InChIKey is VDGQLFFOZVLQPQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C15H10O2.2CH4O.2H2O.4O.2U/c4*16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;2*1-2;;;;;;;;/h4*1-9H,(H,16,17);2*2H,1H3;2*1H2;;;;;;/q;;;;;;;;4*-2;;/p-4.
What are the key properties of tetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate?
tetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate has a molecular weight of 1525.11 g/mol, XLogP of 6.52, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(anthracene-9-carboxylate);methanol;tetrakis(oxygen(2-));uranium;dihydrate is sourced from PubChem (CID 139174333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).