silver;bis(1,10-phenanthroline);trifluoromethanesulfonate

C25H16AgF3N4O3S — CID 15843295

IUPACsilver;bis(1,10-phenanthroline);trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.[Ag+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.CHF3O3S.Ag/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3,4)8(5,6)7;/h2*1-8H;(H,5,6,7);/q;;;+1/p-1
InChIKeyWRCIMPUZNAMLMQ-UHFFFAOYSA-M
MW617.36 g/mol
LogP5.61
Rot. Bonds

About silver;bis(1,10-phenanthroline);trifluoromethanesulfonate

silver;bis(1,10-phenanthroline);trifluoromethanesulfonate (PubChem CID 15843295) has the molecular formula C25H16AgF3N4O3S and a molecular weight of 617.36 g/mol. Its IUPAC name is silver;bis(1,10-phenanthroline);trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;bis(1,10-phenanthroline);trifluoromethanesulfonate
PubChem CID15843295
Molecular FormulaC25H16AgF3N4O3S
Molecular Weight617.36 g/mol
Exact Mass615.99
IUPAC Namesilver;bis(1,10-phenanthroline);trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.[Ag+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.CHF3O3S.Ag/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3,4)8(5,6)7;/h2*1-8H;(H,5,6,7);/q;;;+1/p-1
InChIKeyWRCIMPUZNAMLMQ-UHFFFAOYSA-M
XLogP5.61
TPSA108.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.36
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

1,10-Phenanthroline
CID 1318
4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,10-Phenanthroline hydrate
CID 21226
2-Methyl-1,10-phenanthroline
CID 4913356
1,10-Phenanthroline monohydrochloride monohydrate
CID 2723715
1,10-Phenanthroline hydrochloride
CID 73350
1,10-Phenanthroline ferrous perchlorate
CID 84537
3-Methyl-1,10-phenanthroline
CID 15783796
4,7-DIMETHYL-1,10-PHENANTHROLINE hydrate
CID 24207206
Eilatine
CID 149352
1,10-Phenanthroline ferrous sulfate
CID 84567
1,10-Phenanthroline, 4-methylbenzenesulfonate (1:1)
CID 175526

Frequently Asked Questions

What is the IUPAC name of silver;bis(1,10-phenanthroline);trifluoromethanesulfonate?
The IUPAC name of silver;bis(1,10-phenanthroline);trifluoromethanesulfonate (CID 15843295) is silver;bis(1,10-phenanthroline);trifluoromethanesulfonate.
What is the SMILES notation for silver;bis(1,10-phenanthroline);trifluoromethanesulfonate?
The canonical SMILES for silver;bis(1,10-phenanthroline);trifluoromethanesulfonate is O=S(=O)([O-])C(F)(F)F.[Ag+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of silver;bis(1,10-phenanthroline);trifluoromethanesulfonate?
The InChIKey is WRCIMPUZNAMLMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C12H8N2.CHF3O3S.Ag/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3,4)8(5,6)7;/h2*1-8H;(H,5,6,7);/q;;;+1/p-1.
What are the key properties of silver;bis(1,10-phenanthroline);trifluoromethanesulfonate?
silver;bis(1,10-phenanthroline);trifluoromethanesulfonate has a molecular weight of 617.36 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for silver;bis(1,10-phenanthroline);trifluoromethanesulfonate is sourced from PubChem (CID 15843295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).