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)

C108H128Ag2F6N6O6S2 — CID 139158041

IUPACdisilver;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)
SMILESCC#CC.CC#CC.CC#CC.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.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.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C47H55N3.3C4H6.2CHF3O3S.2Ag/c2*1-44(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;3*1-3-4-2;2*2-1(3,4)8(5,6)7;;/h2*13-31H,1-12H3;3*1-2H3;2*(H,5,6,7);;/q;;;;;;;2*+1/p-2/b2*49-42+,50-43+;;;;;;;
InChIKeyYITHRLRPCIMDAL-DCJQORIFSA-L
MW2000.11 g/mol
LogP28.41
Rot. Bonds12

About 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)

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) (PubChem CID 139158041) has the molecular formula C108H128Ag2F6N6O6S2 and a molecular weight of 2000.11 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namedisilver;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)
PubChem CID139158041
Molecular FormulaC108H128Ag2F6N6O6S2
Molecular Weight2000.11 g/mol
Exact Mass1996.73
IUPAC Namedisilver;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)
SMILESCC#CC.CC#CC.CC#CC.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.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.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C47H55N3.3C4H6.2CHF3O3S.2Ag/c2*1-44(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;3*1-3-4-2;2*2-1(3,4)8(5,6)7;;/h2*13-31H,1-12H3;3*1-2H3;2*(H,5,6,7);;/q;;;;;;;2*+1/p-2/b2*49-42+,50-43+;;;;;;;
InChIKeyYITHRLRPCIMDAL-DCJQORIFSA-L
XLogP28.41
TPSA189.62 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002000.11
LogP ≤ 528.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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) with MolForge

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Related Compounds

N-[3-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[3-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 139105220
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;toluene;trifluoromethanesulfonate
CID 139156626
silver;N-(2,5-ditert-butylphenyl)-1-[6-[N-(2,5-ditert-butylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;pyridine;trifluoromethanesulfonate
CID 139158039
4-[4-[2-[4-(2,6-Diphenylpyridin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine
CID 139500882
4-[4-[4-[1-(4-Aminophenyl)-2,6-diphenylpyridin-1-ium-4-yl]phenyl]-2,6-diphenylpyridin-1-ium-1-yl]aniline;bis(trifluoromethanesulfonate)
CID 11332156
Bis(trifluoromethanesulfonate);1,2,6-triphenyl-4-[4-(1,2,6-triphenylpyridin-1-ium-4-yl)phenyl]pyridin-1-ium
CID 11378134
1-[5-(2,4-Diphenyl-5,10-dihydrobenzo[g]quinolin-1-ium-1-yl)naphthalen-1-yl]-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium;bis(trifluoromethanesulfonate)
CID 44888491
1-[5-(2,4-Diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)naphthalen-1-yl]-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium;bis(trifluoromethanesulfonate)
CID 44888492
N-[2-[2-[6-[2-[2-[bis[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]amino]-4-tert-butylphenyl]ethynyl]-2-pyridinyl]ethynyl]-5-tert-butylphenyl]-N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 102531179

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC#CC.CC#CC.CC#CC.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.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.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].
What is the InChIKey of 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)?
The InChIKey is YITHRLRPCIMDAL-DCJQORIFSA-L. The full InChI is InChI=1S/2C47H55N3.3C4H6.2CHF3O3S.2Ag/c2*1-44(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;3*1-3-4-2;2*2-1(3,4)8(5,6)7;;/h2*13-31H,1-12H3;3*1-2H3;2*(H,5,6,7);;/q;;;;;;;2*+1/p-2/b2*49-42+,50-43+;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 2000.11 g/mol, XLogP of 28.41, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 139158041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).