silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate

C15H12AgF3N2O3S — CID 135085487

IUPACsilver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/C14H12N2.CHF3O3S.Ag/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2-1(3,4)8(5,6)7;/h3-8H,1-2H3;(H,5,6,7);/q;;+1/p-1
InChIKeyNEJQTUPUOHZLCJ-UHFFFAOYSA-M
MW465.20 g/mol
LogP3.45
Rot. Bonds

About silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate

silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate (PubChem CID 135085487) has the molecular formula C15H12AgF3N2O3S and a molecular weight of 465.20 g/mol. Its IUPAC name is silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate
PubChem CID135085487
Molecular FormulaC15H12AgF3N2O3S
Molecular Weight465.20 g/mol
Exact Mass463.96
IUPAC Namesilver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/C14H12N2.CHF3O3S.Ag/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2-1(3,4)8(5,6)7;/h3-8H,1-2H3;(H,5,6,7);/q;;+1/p-1
InChIKeyNEJQTUPUOHZLCJ-UHFFFAOYSA-M
XLogP3.45
TPSA82.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.20
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2,9-Dimethyl-1,10-phenanthroline
CID 65237
Bathocuproine
CID 65149
2-Methyl-1,10-phenanthroline
CID 4913356
2,9-Bis(bromomethyl)-1,10-phenanthroline
CID 353741
3-Methyl-1,10-phenanthroline
CID 15783796
2,9-Bis(chloromethyl)-1,10-phenanthroline
CID 353740
bathocuproine disulfonic acid, disodium salt
CID 15678335
1,10-Phenanthroline, 2,9-dimethyl-, hydrochloride (1:1)
CID 81718
3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 16759559
3-Ethyl-2-[3''-(methylsulfonyl)biphenyl-4-yl]-5-(trifluoromethyl)-quinoxaline
CID 46186945
3-Methyl-2-(3'-(methylsulfonyl)biphenyl-4-yl)-5-(trifluoromethyl)quinoxaline
CID 46206336
2,9-Dimethyl-1,10-phenanthroline monohydrochloride hydrate
CID 2723838

Frequently Asked Questions

What is the IUPAC name of silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate?
The IUPAC name of silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate (CID 135085487) is silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate.
What is the SMILES notation for silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate?
The canonical SMILES for silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate is Cc1ccc2ccc3ccc(C)nc3c2n1.O=S(=O)([O-])C(F)(F)F.[Ag+].
What is the InChIKey of silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate?
The InChIKey is NEJQTUPUOHZLCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12N2.CHF3O3S.Ag/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2-1(3,4)8(5,6)7;/h3-8H,1-2H3;(H,5,6,7);/q;;+1/p-1.
What are the key properties of silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate?
silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate has a molecular weight of 465.20 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for silver;2,9-dimethyl-1,10-phenanthroline;trifluoromethanesulfonate is sourced from PubChem (CID 135085487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).