copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate

C48H32CuN6O6 — CID 139059927

IUPACcopper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.Cu.2NO3/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;2*2-1(3)4/h2*1-16H;;;/q;;+2;2*-1
InChIKeyGCSFRGXSZBCZOI-UHFFFAOYSA-N
MW852.37 g/mol
LogP11.75
Rot. Bonds4

About copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate

copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate (PubChem CID 139059927) has the molecular formula C48H32CuN6O6 and a molecular weight of 852.37 g/mol. Its IUPAC name is copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate.

Molecular Properties

Compound Namecopper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate
PubChem CID139059927
Molecular FormulaC48H32CuN6O6
Molecular Weight852.37 g/mol
Exact Mass851.17
IUPAC Namecopper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.Cu.2NO3/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;2*2-1(3)4/h2*1-16H;;;/q;;+2;2*-1
InChIKeyGCSFRGXSZBCZOI-UHFFFAOYSA-N
XLogP11.75
TPSA183.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.37
LogP ≤ 511.75
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

4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,10-Phenanthroline ferrous perchlorate
CID 84537
1,10-Phenanthroline ferrous sulfate
CID 84567
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Tris(1,10-phenanthroline)iron(2+)
CID 84602
1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
(8S)-N-(3-piperazin-1-ylpropyl)-N-[[9-(pyridin-2-ylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176597
Tris(bipyridine)ruthenium(II) chloride hexahydrate
CID 170850
Nickel(2+), tris(4,7-diphenyl-1,10-phenanthroline-kappaN1,kappaN10)-, (OC-6-11)-, nitrate (1:2)
CID 11979834
Tris(1,10-phenanthroline); dichlororuthenium
CID 6096197
Bis(cyano-C)bis(1,10-phenanthroline-N1,N10)iron
CID 167165
Dichlororuthenium--4,7-diphenyl-1,10-phenanthroline (1/3)
CID 11980975

Frequently Asked Questions

What is the IUPAC name of copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate?
The IUPAC name of copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate (CID 139059927) is copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate.
What is the SMILES notation for copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate?
The canonical SMILES for copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate?
The InChIKey is GCSFRGXSZBCZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.Cu.2NO3/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;2*2-1(3)4/h2*1-16H;;;/q;;+2;2*-1.
What are the key properties of copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate?
copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate has a molecular weight of 852.37 g/mol, XLogP of 11.75, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(4,7-diphenyl-1,10-phenanthroline);dinitrate is sourced from PubChem (CID 139059927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).