disodium bis(anthracene-1-carboxylate)

C30H18Na2O4 — CID 155667370

IUPACdisodium bis(anthracene-1-carboxylate)
SMILESO=C([O-])c1cccc2cc3ccccc3cc12.O=C([O-])c1cccc2cc3ccccc3cc12.[Na+].[Na+]
InChIInChI=1S/2C15H10O2.2Na/c2*16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13;;/h2*1-9H,(H,16,17);;/q;;2*+1/p-2
InChIKeyCWGWCSFWBDUQJR-UHFFFAOYSA-L
MW488.45 g/mol
LogP-1.28
Rot. Bonds2

About disodium bis(anthracene-1-carboxylate)

disodium bis(anthracene-1-carboxylate) (PubChem CID 155667370) has the molecular formula C30H18Na2O4 and a molecular weight of 488.45 g/mol. Its IUPAC name is disodium bis(anthracene-1-carboxylate).

Molecular Properties

Compound Namedisodium bis(anthracene-1-carboxylate)
PubChem CID155667370
Molecular FormulaC30H18Na2O4
Molecular Weight488.45 g/mol
Exact Mass488.10
IUPAC Namedisodium bis(anthracene-1-carboxylate)
SMILESO=C([O-])c1cccc2cc3ccccc3cc12.O=C([O-])c1cccc2cc3ccccc3cc12.[Na+].[Na+]
InChIInChI=1S/2C15H10O2.2Na/c2*16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13;;/h2*1-9H,(H,16,17);;/q;;2*+1/p-2
InChIKeyCWGWCSFWBDUQJR-UHFFFAOYSA-L
XLogP-1.28
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 5-1.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 disodium bis(anthracene-1-carboxylate)?
The IUPAC name of disodium bis(anthracene-1-carboxylate) (CID 155667370) is disodium bis(anthracene-1-carboxylate).
What is the SMILES notation for disodium bis(anthracene-1-carboxylate)?
The canonical SMILES for disodium bis(anthracene-1-carboxylate) is O=C([O-])c1cccc2cc3ccccc3cc12.O=C([O-])c1cccc2cc3ccccc3cc12.[Na+].[Na+].
What is the InChIKey of disodium bis(anthracene-1-carboxylate)?
The InChIKey is CWGWCSFWBDUQJR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H10O2.2Na/c2*16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13;;/h2*1-9H,(H,16,17);;/q;;2*+1/p-2.
What are the key properties of disodium bis(anthracene-1-carboxylate)?
disodium bis(anthracene-1-carboxylate) has a molecular weight of 488.45 g/mol, XLogP of -1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(anthracene-1-carboxylate) is sourced from PubChem (CID 155667370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).