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

C24H18CuN4O-2 — CID 5245731

IUPACcopper;bis(1,10-phenanthroline-1,10-diide);hydrate
SMILESC1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.C1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.O.[Cu+2]
InChIInChI=1S/2C12H8N2.Cu.H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h2*1-8H;;1H2/q2*-2;+2;
InChIKeyUMCXOYNMICSMPJ-UHFFFAOYSA-N
MW441.98 g/mol
LogP3.80
Rot. Bonds

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

copper;bis(1,10-phenanthroline-1,10-diide);hydrate (PubChem CID 5245731) has the molecular formula C24H18CuN4O-2 and a molecular weight of 441.98 g/mol. Its IUPAC name is copper;bis(1,10-phenanthroline-1,10-diide);hydrate.

Molecular Properties

Compound Namecopper;bis(1,10-phenanthroline-1,10-diide);hydrate
PubChem CID5245731
Molecular FormulaC24H18CuN4O-2
Molecular Weight441.98 g/mol
Exact Mass441.08
IUPAC Namecopper;bis(1,10-phenanthroline-1,10-diide);hydrate
SMILESC1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.C1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.O.[Cu+2]
InChIInChI=1S/2C12H8N2.Cu.H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h2*1-8H;;1H2/q2*-2;+2;
InChIKeyUMCXOYNMICSMPJ-UHFFFAOYSA-N
XLogP3.80
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of copper;bis(1,10-phenanthroline-1,10-diide);hydrate?
The IUPAC name of copper;bis(1,10-phenanthroline-1,10-diide);hydrate (CID 5245731) is copper;bis(1,10-phenanthroline-1,10-diide);hydrate.
What is the SMILES notation for copper;bis(1,10-phenanthroline-1,10-diide);hydrate?
The canonical SMILES for copper;bis(1,10-phenanthroline-1,10-diide);hydrate is C1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.C1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.O.[Cu+2].
What is the InChIKey of copper;bis(1,10-phenanthroline-1,10-diide);hydrate?
The InChIKey is UMCXOYNMICSMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.Cu.H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h2*1-8H;;1H2/q2*-2;+2;.
What are the key properties of copper;bis(1,10-phenanthroline-1,10-diide);hydrate?
copper;bis(1,10-phenanthroline-1,10-diide);hydrate has a molecular weight of 441.98 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1,10-phenanthroline-1,10-diide);hydrate is sourced from PubChem (CID 5245731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).