silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate

C53H60AgF3N4O3S — CID 139158039

IUPACsilver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(/N=C(\c2ccccc2)c2cccc(/C(=N/c3cc(C(C)(C)C)ccc3C(C)(C)C)c3ccccc3)n2)c1.O=S(=O)([O-])C(F)(F)F.[Ag+].c1ccncc1
InChIInChI=1S/C47H55N3.C5H5N.CHF3O3S.Ag/c1-44(2,3)34-26-28-36(46(7,8)9)40(30-34)49-42(32-20-15-13-16-21-32)38-24-19-25-39(48-38)43(33-22-17-14-18-23-33)50-41-31-35(45(4,5)6)27-29-37(41)47(10,11)12;1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h13-31H,1-12H3;1-5H;(H,5,6,7);/q;;;+1/p-1/b49-42+,50-43+;;;
InChIKeyUDPVZDUWDFJDRX-XZDRBVCUSA-M
MW998.02 g/mol
LogP13.74
Rot. Bonds6

About silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate

silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate (PubChem CID 139158039) has the molecular formula C53H60AgF3N4O3S and a molecular weight of 998.02 g/mol. Its IUPAC name is silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate
PubChem CID139158039
Molecular FormulaC53H60AgF3N4O3S
Molecular Weight998.02 g/mol
Exact Mass996.34
IUPAC Namesilver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(/N=C(\c2ccccc2)c2cccc(/C(=N/c3cc(C(C)(C)C)ccc3C(C)(C)C)c3ccccc3)n2)c1.O=S(=O)([O-])C(F)(F)F.[Ag+].c1ccncc1
InChIInChI=1S/C47H55N3.C5H5N.CHF3O3S.Ag/c1-44(2,3)34-26-28-36(46(7,8)9)40(30-34)49-42(32-20-15-13-16-21-32)38-24-19-25-39(48-38)43(33-22-17-14-18-23-33)50-41-31-35(45(4,5)6)27-29-37(41)47(10,11)12;1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h13-31H,1-12H3;1-5H;(H,5,6,7);/q;;;+1/p-1/b49-42+,50-43+;;;
InChIKeyUDPVZDUWDFJDRX-XZDRBVCUSA-M
XLogP13.74
TPSA107.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.02
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate
CID 139052507
1,1,1-trifluoro-N-[oxo-(trifluoromethyl)-[[(9R)-7,8,9-triphenyl-1-azonia-9-boranuidabicyclo[4.3.0]nona-1,3,5,7-tetraen-9-yl]oxy]-lambda6-sulfanylidene]methanesulfonamide;1,1,1-trifluoro-N-[oxo-(trifluoromethyl)-[[(9S)-7,8,9-triphenyl-1-azonia-9-boranuidabicyclo[4.3.0]nona-1,3,5,7-tetraen-9-yl]oxy]-lambda6-sulfanylidene]methanesulfonamide
CID 139113626
N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;indium(1+);trifluoromethanesulfonate
CID 139115279
Silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate
CID 139133704
[Ag(2,5-Mes2py)2]OTf
CID 139135968
[Cu(2,5-Mes2py)2]OTf
CID 139135969
CID 139137964
CID 139137964
iron(2+);N-[3-methyl-2-[2-methyl-6-(pyridin-2-ylmethylideneamino)phenyl]phenyl]-1-pyridin-2-ylmethanimine;bis(trifluoromethanesulfonate)
CID 139152373
silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;toluene;trifluoromethanesulfonate
CID 139156626
disilver;tris(but-2-yne);bis(N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine);bis(trifluoromethanesulfonate)
CID 139158041
[N-(diphenylboryl)-2-benzoylpyridinketimine]H+OTf-
CID 139174555
6,6'-(4'',6'-Di-tert-butyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4',6''-diyl)bis(3-fluoropyridine)
CID 155908893

Frequently Asked Questions

What is the IUPAC name of silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate?
The IUPAC name of silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate (CID 139158039) is silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate.
What is the SMILES notation for silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate?
The canonical SMILES for silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate is CC(C)(C)c1ccc(C(C)(C)C)c(/N=C(\c2ccccc2)c2cccc(/C(=N/c3cc(C(C)(C)C)ccc3C(C)(C)C)c3ccccc3)n2)c1.O=S(=O)([O-])C(F)(F)F.[Ag+].c1ccncc1.
What is the InChIKey of silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate?
The InChIKey is UDPVZDUWDFJDRX-XZDRBVCUSA-M. The full InChI is InChI=1S/C47H55N3.C5H5N.CHF3O3S.Ag/c1-44(2,3)34-26-28-36(46(7,8)9)40(30-34)49-42(32-20-15-13-16-21-32)38-24-19-25-39(48-38)43(33-22-17-14-18-23-33)50-41-31-35(45(4,5)6)27-29-37(41)47(10,11)12;1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h13-31H,1-12H3;1-5H;(H,5,6,7);/q;;;+1/p-1/b49-42+,50-43+;;;.
What are the key properties of silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate?
silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate has a molecular weight of 998.02 g/mol, XLogP of 13.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate is sourced from PubChem (CID 139158039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).