copper;bis(1,10-phenanthroline);dinitrate;hydrate

C24H18CuN6O7 — CID 15478309

IUPACcopper;bis(1,10-phenanthroline);dinitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.Cu.2NO3.H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2*2-1(3)4;/h2*1-8H;;;;1H2/q;;+2;2*-1;
InChIKeyQPNWYGOZNFURSE-UHFFFAOYSA-N
MW565.99 g/mol
LogP4.26
Rot. Bonds

About copper;bis(1,10-phenanthroline);dinitrate;hydrate

copper;bis(1,10-phenanthroline);dinitrate;hydrate (PubChem CID 15478309) has the molecular formula C24H18CuN6O7 and a molecular weight of 565.99 g/mol. Its IUPAC name is copper;bis(1,10-phenanthroline);dinitrate;hydrate.

Molecular Properties

Compound Namecopper;bis(1,10-phenanthroline);dinitrate;hydrate
PubChem CID15478309
Molecular FormulaC24H18CuN6O7
Molecular Weight565.99 g/mol
Exact Mass565.05
IUPAC Namecopper;bis(1,10-phenanthroline);dinitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.Cu.2NO3.H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2*2-1(3)4;/h2*1-8H;;;;1H2/q;;+2;2*-1;
InChIKeyQPNWYGOZNFURSE-UHFFFAOYSA-N
XLogP4.26
TPSA215.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.99
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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Related Compounds

lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
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CID 139207244
dicopper;(2S)-2-hydroxybutanedioate;tris(1,10-phenanthroline);dinitrate;tetrahydrate
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europium;1,10-phenanthroline
CID 20606755
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
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CID 58385596
CID 58385596
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Frequently Asked Questions

What is the IUPAC name of copper;bis(1,10-phenanthroline);dinitrate;hydrate?
The IUPAC name of copper;bis(1,10-phenanthroline);dinitrate;hydrate (CID 15478309) is copper;bis(1,10-phenanthroline);dinitrate;hydrate.
What is the SMILES notation for copper;bis(1,10-phenanthroline);dinitrate;hydrate?
The canonical SMILES for copper;bis(1,10-phenanthroline);dinitrate;hydrate is O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;bis(1,10-phenanthroline);dinitrate;hydrate?
The InChIKey is QPNWYGOZNFURSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.Cu.2NO3.H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2*2-1(3)4;/h2*1-8H;;;;1H2/q;;+2;2*-1;.
What are the key properties of copper;bis(1,10-phenanthroline);dinitrate;hydrate?
copper;bis(1,10-phenanthroline);dinitrate;hydrate has a molecular weight of 565.99 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1,10-phenanthroline);dinitrate;hydrate is sourced from PubChem (CID 15478309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).