lead(2+);bis(1,10-phenanthroline);dinitrate

C24H16N6O6Pb — CID 139206065

IUPAClead(2+);bis(1,10-phenanthroline);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2NO3.Pb/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;;;/q;;2*-1;+2
InChIKeyJRSRNUGEZABRHV-UHFFFAOYSA-N
MW691.63 g/mol
LogP4.71
Rot. Bonds

About lead(2+);bis(1,10-phenanthroline);dinitrate

lead(2+);bis(1,10-phenanthroline);dinitrate (PubChem CID 139206065) has the molecular formula C24H16N6O6Pb and a molecular weight of 691.63 g/mol. Its IUPAC name is lead(2+);bis(1,10-phenanthroline);dinitrate.

Molecular Properties

Compound Namelead(2+);bis(1,10-phenanthroline);dinitrate
PubChem CID139206065
Molecular FormulaC24H16N6O6Pb
Molecular Weight691.63 g/mol
Exact Mass692.09
IUPAC Namelead(2+);bis(1,10-phenanthroline);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2NO3.Pb/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;;;/q;;2*-1;+2
InChIKeyJRSRNUGEZABRHV-UHFFFAOYSA-N
XLogP4.71
TPSA183.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500691.63
LogP ≤ 54.71
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

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CID 139207244
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CID 14251798
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CID 175702049
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1,10-phenanthroline;samarium
CID 174616745
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
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Frequently Asked Questions

What is the IUPAC name of lead(2+);bis(1,10-phenanthroline);dinitrate?
The IUPAC name of lead(2+);bis(1,10-phenanthroline);dinitrate (CID 139206065) is lead(2+);bis(1,10-phenanthroline);dinitrate.
What is the SMILES notation for lead(2+);bis(1,10-phenanthroline);dinitrate?
The canonical SMILES for lead(2+);bis(1,10-phenanthroline);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of lead(2+);bis(1,10-phenanthroline);dinitrate?
The InChIKey is JRSRNUGEZABRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.2NO3.Pb/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;;;/q;;2*-1;+2.
What are the key properties of lead(2+);bis(1,10-phenanthroline);dinitrate?
lead(2+);bis(1,10-phenanthroline);dinitrate has a molecular weight of 691.63 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lead(2+);bis(1,10-phenanthroline);dinitrate is sourced from PubChem (CID 139206065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).