disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine)

C38H34Ag2N8O6S2 — CID 139072936

IUPACdisilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine)
SMILESC(=N/N=C/c1ccccn1)\c1ccccn1.C(=N/N=C/c1ccccn1)\c1ccccn1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+].[Ag+]
InChIInChI=1S/2C12H10N4.2C7H8O3S.2Ag/c2*1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14-12;2*1-6-2-4-7(5-3-6)11(8,9)10;;/h2*1-10H;2*2-5H,1H3,(H,8,9,10);;/q;;;;2*+1/p-2/b2*15-9+,16-10+;;;;
InChIKeyYECUTWBFLRYVNL-UTKZNLAOSA-L
MW978.61 g/mol
LogP5.65
Rot. Bonds8

About disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine)

disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine) (PubChem CID 139072936) has the molecular formula C38H34Ag2N8O6S2 and a molecular weight of 978.61 g/mol. Its IUPAC name is disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine).

Molecular Properties

Compound Namedisilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine)
PubChem CID139072936
Molecular FormulaC38H34Ag2N8O6S2
Molecular Weight978.61 g/mol
Exact Mass976.01
IUPAC Namedisilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine)
SMILESC(=N/N=C/c1ccccn1)\c1ccccn1.C(=N/N=C/c1ccccn1)\c1ccccn1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+].[Ag+]
InChIInChI=1S/2C12H10N4.2C7H8O3S.2Ag/c2*1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14-12;2*1-6-2-4-7(5-3-6)11(8,9)10;;/h2*1-10H;2*2-5H,1H3,(H,8,9,10);;/q;;;;2*+1/p-2/b2*15-9+,16-10+;;;;
InChIKeyYECUTWBFLRYVNL-UTKZNLAOSA-L
XLogP5.65
TPSA215.40 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500978.61
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine) with MolForge

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Related Compounds

1,4-Bis[4-(1-pyridinium)styryl)]benzene ditosylate
CID 6505042
SN 18071
CID 125712
N-methyl pyridinium tosylate N-methyl pyridinium tosylate
CID 134692330
4-(1,5-Dipyridin-4-ylhexan-3-yl)pyridine;4-methylbenzenesulfonic acid
CID 71310492
Spiro[cyclopenta[b]pyridine-7,4'-piperidine];4-(trifluoromethyl)benzenesulfonyl chloride;1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[cyclopenta[b]pyridine-7,4'-piperidine]
CID 158671174
6-[3-ethylsulfonyl-5-(4-fluorophenyl)-2-pyridinyl]-3-(trifluoromethyl)-5H-cyclopenta[b]pyridine
CID 161273699
4-Methylbenzenesulfonate;1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium
CID 22116849
4-methyl-N-[2-[(4-methylphenyl)sulfonyl-(2-pyridin-2-ylethyl)amino]ethyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 101153832
[Bis(pyridine)silver]tosylate
CID 139045021
Ag tosylate DEPN
CID 139045627
Bis(mu-pyridine-1-carbaldehyde azine-kappa^2^N,N':kappa^2^N'',N''')disilver(I) bis(methanesulfonate)
CID 139072934
Bis(pyridine-kappaN){N^2^,N^2'^-[1,1'-(pyridine-2,6-diyl)diethylidyne]benzenesulfonohydrazonato-kappa^5^O,N,N',N'',O'}nickel(II)
CID 139078343

Frequently Asked Questions

What is the IUPAC name of disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine)?
The IUPAC name of disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine) (CID 139072936) is disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine).
What is the SMILES notation for disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine)?
The canonical SMILES for disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine) is C(=N/N=C/c1ccccn1)\c1ccccn1.C(=N/N=C/c1ccccn1)\c1ccccn1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+].[Ag+].
What is the InChIKey of disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine)?
The InChIKey is YECUTWBFLRYVNL-UTKZNLAOSA-L. The full InChI is InChI=1S/2C12H10N4.2C7H8O3S.2Ag/c2*1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14-12;2*1-6-2-4-7(5-3-6)11(8,9)10;;/h2*1-10H;2*2-5H,1H3,(H,8,9,10);;/q;;;;2*+1/p-2/b2*15-9+,16-10+;;;;.
What are the key properties of disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine)?
disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine) has a molecular weight of 978.61 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(4-methylbenzenesulfonate);bis((E)-1-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]methanimine) is sourced from PubChem (CID 139072936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).