silver;bis(1,10-phenanthroline-5,6-dione);perchlorate

C24H12AgClN4O8 — CID 139072912

IUPACsilver;bis(1,10-phenanthroline-5,6-dione);perchlorate
SMILESO=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.[Ag+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C12H6N2O2.Ag.ClHO4/c2*15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;;2-1(3,4)5/h2*1-6H;;(H,2,3,4,5)/q;;+1;/p-1
InChIKeyGESBQHQFCSVHST-UHFFFAOYSA-M
MW627.70 g/mol
LogP-1.71
Rot. Bonds

About silver;bis(1,10-phenanthroline-5,6-dione);perchlorate

silver;bis(1,10-phenanthroline-5,6-dione);perchlorate (PubChem CID 139072912) has the molecular formula C24H12AgClN4O8 and a molecular weight of 627.70 g/mol. Its IUPAC name is silver;bis(1,10-phenanthroline-5,6-dione);perchlorate.

Molecular Properties

Compound Namesilver;bis(1,10-phenanthroline-5,6-dione);perchlorate
PubChem CID139072912
Molecular FormulaC24H12AgClN4O8
Molecular Weight627.70 g/mol
Exact Mass625.94
IUPAC Namesilver;bis(1,10-phenanthroline-5,6-dione);perchlorate
SMILESO=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.[Ag+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C12H6N2O2.Ag.ClHO4/c2*15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;;2-1(3,4)5/h2*1-6H;;(H,2,3,4,5)/q;;+1;/p-1
InChIKeyGESBQHQFCSVHST-UHFFFAOYSA-M
XLogP-1.71
TPSA212.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.70
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(2-pyridinyl)-
CID 4595742
11-Benzylindolizino[3,2-g]quinoline-5,12-dione
CID 145983630
9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 4,5,6,7-tetrahydro-
CID 396466
tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1,10-phenanthroline-5,6-dione;toluene;yttrium(3+)
CID 139172879
CID 139162752
CID 139162752
11-Pyridin-4-yl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one
CID 4261195
9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(3-pyridinyl)-
CID 4532977
1,10-Phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 15772851
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
Phenyl-(2-phenyl-3-quinolin-2-ylindolizin-1-yl)methanone
CID 132519513
Bis(1,10-phenanthroline-5,6-dione) diaminoglyoxime
CID 139070798
Acetato(1,10-phenanthroline-5,6-dione)silver(I) trihydrate
CID 139074234

Frequently Asked Questions

What is the IUPAC name of silver;bis(1,10-phenanthroline-5,6-dione);perchlorate?
The IUPAC name of silver;bis(1,10-phenanthroline-5,6-dione);perchlorate (CID 139072912) is silver;bis(1,10-phenanthroline-5,6-dione);perchlorate.
What is the SMILES notation for silver;bis(1,10-phenanthroline-5,6-dione);perchlorate?
The canonical SMILES for silver;bis(1,10-phenanthroline-5,6-dione);perchlorate is O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.[Ag+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of silver;bis(1,10-phenanthroline-5,6-dione);perchlorate?
The InChIKey is GESBQHQFCSVHST-UHFFFAOYSA-M. The full InChI is InChI=1S/2C12H6N2O2.Ag.ClHO4/c2*15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;;2-1(3,4)5/h2*1-6H;;(H,2,3,4,5)/q;;+1;/p-1.
What are the key properties of silver;bis(1,10-phenanthroline-5,6-dione);perchlorate?
silver;bis(1,10-phenanthroline-5,6-dione);perchlorate has a molecular weight of 627.70 g/mol, XLogP of -1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for silver;bis(1,10-phenanthroline-5,6-dione);perchlorate is sourced from PubChem (CID 139072912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).