bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate

C90H62Eu2N4O20 — CID 139077820

About bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate

bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate (PubChem CID 139077820) has the molecular formula C90H62Eu2N4O20 and a molecular weight of 1823.42 g/mol. Its IUPAC name is bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate.

Molecular Properties

• Compound Name: bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate
• PubChem CID: 139077820
• Molecular Formula: C90H62Eu2N4O20
• Molecular Weight: 1823.42 g/mol
• Exact Mass: 1824.24
• IUPAC Name: bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate
• SMILES: O.O.O=C([O-])c1cccc2cc(O)ccc12.O=C([O-])c1cccc2cc(O)ccc12.O=C([O-])c1cccc2cc(O)ccc12.O=C([O-])c1cccc2cc(O)ccc12.O=C([O-])c1cccc2cc(O)ccc12.O=C([O-])c1cccc2cc(O)ccc12.[Eu+3].[Eu+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/2C12H8N2.6C11H8O3.2Eu.2H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14;;;;/h2*1-8H;6*1-6,12H,(H,13,14);;;2*1H2/q;;;;;;;;2*+3;;/p-6
• InChIKey: ZHZVYVZINXQXPE-UHFFFAOYSA-H
• XLogP: 9.37
• TPSA: 476.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1823.42
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate?

The IUPAC name of bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate (CID 139077820) is bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate.

What is the SMILES notation for bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate?

The canonical SMILES for bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate is O.O.O=C([O-])c1cccc2cc(O)ccc12.O=C([O-])c1cccc2cc(O)ccc12.O=C([O-])c1cccc2cc(O)ccc12.O=C([O-])c1cccc2cc(O)ccc12.O=C([O-])c1cccc2cc(O)ccc12.O=C([O-])c1cccc2cc(O)ccc12.[Eu+3].[Eu+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate?

The InChIKey is ZHZVYVZINXQXPE-UHFFFAOYSA-H. The full InChI is InChI=1S/2C12H8N2.6C11H8O3.2Eu.2H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14;;;;/h2*1-8H;6*1-6,12H,(H,13,14);;;2*1H2/q;;;;;;;;2*+3;;/p-6.

What are the key properties of bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate?

bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate has a molecular weight of 1823.42 g/mol, XLogP of 9.37, 6 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(europium(3+));hexakis(6-hydroxynaphthalene-1-carboxylate);bis(1,10-phenanthroline);dihydrate is sourced from PubChem (CID 139077820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).