bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate

C32H20Cl4ErN5O5 — CID 139173549

IUPACbis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate
SMILESCc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.O=[N+]([O-])[O-].[Er+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2C10H7Cl2NO.Er.NO3/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5;;2-1(3)4/h1-8H;2*2-4,14H,1H3;;/q;;;+3;-1/p-2
InChIKeyHWZMDKVHEAEXTK-UHFFFAOYSA-L
MW863.61 g/mol
LogP8.39
Rot. Bonds

About bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate

bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate (PubChem CID 139173549) has the molecular formula C32H20Cl4ErN5O5 and a molecular weight of 863.61 g/mol. Its IUPAC name is bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate.

Molecular Properties

Compound Namebis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate
PubChem CID139173549
Molecular FormulaC32H20Cl4ErN5O5
Molecular Weight863.61 g/mol
Exact Mass859.95
IUPAC Namebis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate
SMILESCc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.O=[N+]([O-])[O-].[Er+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2C10H7Cl2NO.Er.NO3/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5;;2-1(3)4/h1-8H;2*2-4,14H,1H3;;/q;;;+3;-1/p-2
InChIKeyHWZMDKVHEAEXTK-UHFFFAOYSA-L
XLogP8.39
TPSA163.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.61
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate?
The IUPAC name of bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate (CID 139173549) is bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate.
What is the SMILES notation for bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate?
The canonical SMILES for bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate is Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.O=[N+]([O-])[O-].[Er+3].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate?
The InChIKey is HWZMDKVHEAEXTK-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.2C10H7Cl2NO.Er.NO3/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5;;2-1(3)4/h1-8H;2*2-4,14H,1H3;;/q;;;+3;-1/p-2.
What are the key properties of bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate?
bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate has a molecular weight of 863.61 g/mol, XLogP of 8.39, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,7-dichloro-2-methylquinolin-8-olate);erbium(3+);1,10-phenanthroline;nitrate is sourced from PubChem (CID 139173549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).