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

C55H63AgF3N3O3S — CID 139156626

IUPACsilver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;toluene;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.Cc1ccccc1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/C47H55N3.C7H8.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;1-7-5-3-2-4-6-7;2-1(3,4)8(5,6)7;/h13-31H,1-12H3;2-6H,1H3;(H,5,6,7);/q;;;+1/p-1/b49-42+,50-43+;;;
InChIKeyLNXKVAURGHYBCA-XZDRBVCUSA-M
MW1011.06 g/mol
LogP14.65
Rot. Bonds6

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

silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;toluene;trifluoromethanesulfonate (PubChem CID 139156626) has the molecular formula C55H63AgF3N3O3S and a molecular weight of 1011.06 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;toluene;trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;toluene;trifluoromethanesulfonate
PubChem CID139156626
Molecular FormulaC55H63AgF3N3O3S
Molecular Weight1011.06 g/mol
Exact Mass1009.36
IUPAC Namesilver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;toluene;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.Cc1ccccc1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/C47H55N3.C7H8.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;1-7-5-3-2-4-6-7;2-1(3,4)8(5,6)7;/h13-31H,1-12H3;2-6H,1H3;(H,5,6,7);/q;;;+1/p-1/b49-42+,50-43+;;;
InChIKeyLNXKVAURGHYBCA-XZDRBVCUSA-M
XLogP14.65
TPSA94.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.06
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;indium(1+);trifluoromethanesulfonate
CID 139115279
N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;indium(1+);trifluoromethanesulfonate
CID 139132664
Silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate
CID 139133704
silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate
CID 139158039
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-(p-octylphenyl)-2,4,6-triphenylpyridinium triflate
CID 20064818
N-(p-dodecylphenyl)-2,4,6-triphenylpyridinium triflate
CID 20064835
2,6-Bis[1-[3',5'-bis(trifluoromethyl)-4-methyl-3-biphenylylimino]ethyl]pyridine
CID 89361462
4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenylpyridin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline
CID 139321819
N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline
CID 158924747
Bis(trifluoromethanesulfonate);1,2,6-triphenyl-4-[4-(1,2,6-triphenylpyridin-1-ium-4-yl)phenyl]pyridin-1-ium
CID 11378134
1,2,3,4,6-Pentakis-phenylpyridin-1-ium;trifluoromethanesulfonate
CID 12656024

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;toluene;trifluoromethanesulfonate?
The IUPAC name of silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;toluene;trifluoromethanesulfonate (CID 139156626) is silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;toluene;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;toluene;trifluoromethanesulfonate?
The canonical SMILES for silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;toluene;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.Cc1ccccc1.O=S(=O)([O-])C(F)(F)F.[Ag+].
What is the InChIKey of silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;toluene;trifluoromethanesulfonate?
The InChIKey is LNXKVAURGHYBCA-XZDRBVCUSA-M. The full InChI is InChI=1S/C47H55N3.C7H8.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;1-7-5-3-2-4-6-7;2-1(3,4)8(5,6)7;/h13-31H,1-12H3;2-6H,1H3;(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;toluene;trifluoromethanesulfonate?
silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;toluene;trifluoromethanesulfonate has a molecular weight of 1011.06 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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;toluene;trifluoromethanesulfonate is sourced from PubChem (CID 139156626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).