disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate

C44H28Ag2N10O12 — CID 139175974

IUPACdisilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate
SMILESO.O.O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/4C11H6N2O.2Ag.2NO3.2H2O/c4*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10;;;2*2-1(3)4;;/h4*1-6H;;;;;2*1H2/q;;;;2*+1;2*-1;;
InChIKeyHLGUVFCAQQISKH-UHFFFAOYSA-N
MW1104.50 g/mol
LogP4.62
Rot. Bonds

About disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate

disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate (PubChem CID 139175974) has the molecular formula C44H28Ag2N10O12 and a molecular weight of 1104.50 g/mol. Its IUPAC name is disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate.

Molecular Properties

Compound Namedisilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate
PubChem CID139175974
Molecular FormulaC44H28Ag2N10O12
Molecular Weight1104.50 g/mol
Exact Mass1102.00
IUPAC Namedisilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate
SMILESO.O.O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/4C11H6N2O.2Ag.2NO3.2H2O/c4*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10;;;2*2-1(3)4;;/h4*1-6H;;;;;2*1H2/q;;;;2*+1;2*-1;;
InChIKeyHLGUVFCAQQISKH-UHFFFAOYSA-N
XLogP4.62
TPSA366.80 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001104.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(5-Oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
CID 102085468
[mu-N,N'-Bis(2-aminoethyl)oxamidato(2-)]bis[(4,5-diazafluoren-9-one)perchloratocopper(II)] 4,5-diazafluoren-9-one disolvate
CID 139059516
Bis(4,5-diazafluorene-9-one)dicyanamidocopper(II)
CID 139066649
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
8-Phenylindeno[1,2-b]pyridin-5-one
CID 139191772
bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);bis(nickel(2+));1-N,1-N,3-N,3-N-tetrakis(pyridin-2-ylmethyl)benzene-1,3-diamine;tetraperchlorate;hexahydrate
CID 139239030
Diaquabis(4,5-diazafluoren-9-one-kappa^2^N,N')zinc(II) dinitrate
CID 168308680
Bis(4,5-difluoren-9-one)diaquazinc(II) diperchlorate
CID 168308723
Tetra-mu-acetato-bis[aquacopper(II)]-4,5-diazafluoren-9-one (1/2)
CID 168308724
Tetraaqua(4,5-diazafluoren-9-one-kappa^2^N,N')nickel(II) dinitrate
CID 168309746
Chloroform;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);tetrakis(palladium(2+));octaacetate
CID 168334532
Chloroform;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);palladium(2+);diacetate
CID 168334533

Frequently Asked Questions

What is the IUPAC name of disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate?
The IUPAC name of disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate (CID 139175974) is disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate.
What is the SMILES notation for disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate?
The canonical SMILES for disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate is O.O.O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].
What is the InChIKey of disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate?
The InChIKey is HLGUVFCAQQISKH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H6N2O.2Ag.2NO3.2H2O/c4*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10;;;2*2-1(3)4;;/h4*1-6H;;;;;2*1H2/q;;;;2*+1;2*-1;;.
What are the key properties of disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate?
disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate has a molecular weight of 1104.50 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate is sourced from PubChem (CID 139175974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).