silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate

C22H12AgN5O5 — CID 139175973

IUPACsilver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate
SMILESO=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=[N+]([O-])[O-].[Ag+]
InChIInChI=1S/2C11H6N2O.Ag.NO3/c2*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10;;2-1(3)4/h2*1-6H;;/q;;+1;-1
InChIKeyJMPPPEYRMHIODY-UHFFFAOYSA-N
MW534.24 g/mol
LogP3.13
Rot. Bonds

About silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate

silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate (PubChem CID 139175973) has the molecular formula C22H12AgN5O5 and a molecular weight of 534.24 g/mol. Its IUPAC name is silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate.

Molecular Properties

Compound Namesilver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate
PubChem CID139175973
Molecular FormulaC22H12AgN5O5
Molecular Weight534.24 g/mol
Exact Mass532.99
IUPAC Namesilver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate
SMILESO=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=[N+]([O-])[O-].[Ag+]
InChIInChI=1S/2C11H6N2O.Ag.NO3/c2*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10;;2-1(3)4/h2*1-6H;;/q;;+1;-1
InChIKeyJMPPPEYRMHIODY-UHFFFAOYSA-N
XLogP3.13
TPSA151.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.24
LogP ≤ 53.13
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'}

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Frequently Asked Questions

What is the IUPAC name of silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate?
The IUPAC name of silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate (CID 139175973) is silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate.
What is the SMILES notation for silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate?
The canonical SMILES for silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate is O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=[N+]([O-])[O-].[Ag+].
What is the InChIKey of silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate?
The InChIKey is JMPPPEYRMHIODY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H6N2O.Ag.NO3/c2*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10;;2-1(3)4/h2*1-6H;;/q;;+1;-1.
What are the key properties of silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate?
silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate has a molecular weight of 534.24 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for silver;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);nitrate is sourced from PubChem (CID 139175973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).