disilver;quinoline;bis(trifluoromethanesulfonate)

C38H28Ag2F6N4O6S2 — CID 139161026

IUPACdisilver;quinoline;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/4C9H7N.2CHF3O3S.2Ag/c4*1-2-6-9-8(4-1)5-3-7-10-9;2*2-1(3,4)8(5,6)7;;/h4*1-7H;2*(H,5,6,7);;/q;;;;;;2*+1/p-2
InChIKeyBXTJZKJPNNYVOF-UHFFFAOYSA-L
MW1030.52 g/mol
LogP9.04
Rot. Bonds

About disilver;quinoline;bis(trifluoromethanesulfonate)

disilver;quinoline;bis(trifluoromethanesulfonate) (PubChem CID 139161026) has the molecular formula C38H28Ag2F6N4O6S2 and a molecular weight of 1030.52 g/mol. Its IUPAC name is disilver;quinoline;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;quinoline;bis(trifluoromethanesulfonate)
PubChem CID139161026
Molecular FormulaC38H28Ag2F6N4O6S2
Molecular Weight1030.52 g/mol
Exact Mass1027.95
IUPAC Namedisilver;quinoline;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/4C9H7N.2CHF3O3S.2Ag/c4*1-2-6-9-8(4-1)5-3-7-10-9;2*2-1(3,4)8(5,6)7;;/h4*1-7H;2*(H,5,6,7);;/q;;;;;;2*+1/p-2
InChIKeyBXTJZKJPNNYVOF-UHFFFAOYSA-L
XLogP9.04
TPSA165.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.52
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Quinoline, sulfate (2:1)
CID 85842256
12,13-dimethyl-5,20-bis[(E)-2-(4-phenylcyclopenta-1,3-dien-1-yl)vinyl]-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate
CID 176457096
12,13-dimethyl-5,20-bis[(E)-2-(10-methyl-9-anthryl)vinyl]-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate
CID 176457112
4-[(E)-2-[20-[(E)-2-[4-(dimethylamino)phenyl]vinyl]-12,13-dimethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaen-5-yl]vinyl]-N,N-dimethyl-aniline;trifluoromethanesulfonate
CID 176457137
12,13-dimethyl-7-[(E)-2-(1-methylindol-3-yl)vinyl]-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20(25),21,23-undecaene;trifluoromethanesulfonate
CID 176457164
Silver;bis(1,10-phenanthroline);trifluoromethanesulfonate
CID 15843295
tetrazinc; platinum(2+); trifluoromethanesulfonic acid; (4Z,9Z,14Z,19Z)-5,10,15-triphenyl-20-(4-pyridyl)porphyrin
CID 11979931
(1,2-Bis(pyridin-2-yl)ethyl)bis((quinolin-2-yl)methyl)amine
CID 139026295
2-Pent-3-ynyl-1-[2-(2-pent-3-ynylisoquinolin-2-ium-1-yl)ethynyl]isoquinolin-2-ium;bis(trifluoromethanesulfonate)
CID 71567717
1-Hexylquinolinium bis(trifluoromethylsulfonyl)amide
CID 129846500
N-butylquinolinium bis(trifluoromethylsulphonyl)imide
CID 135121576
Acetonitrile;cobalt(2+);2-(1,1-dipyridin-2-ylethyl)-6-(pyridin-2-ylmethyl)pyridine;bis(trifluoromethanesulfonate)
CID 139042190

Frequently Asked Questions

What is the IUPAC name of disilver;quinoline;bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;quinoline;bis(trifluoromethanesulfonate) (CID 139161026) is disilver;quinoline;bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;quinoline;bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;quinoline;bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of disilver;quinoline;bis(trifluoromethanesulfonate)?
The InChIKey is BXTJZKJPNNYVOF-UHFFFAOYSA-L. The full InChI is InChI=1S/4C9H7N.2CHF3O3S.2Ag/c4*1-2-6-9-8(4-1)5-3-7-10-9;2*2-1(3,4)8(5,6)7;;/h4*1-7H;2*(H,5,6,7);;/q;;;;;;2*+1/p-2.
What are the key properties of disilver;quinoline;bis(trifluoromethanesulfonate)?
disilver;quinoline;bis(trifluoromethanesulfonate) has a molecular weight of 1030.52 g/mol, XLogP of 9.04, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;quinoline;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139161026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).