silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate

C47H50AgF3N2O3S — CID 139133704

IUPACsilver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)n2)c(C)c1.Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)n2)c(C)c1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/2C23H25N.CHF3O3S.Ag/c2*1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24-20)23-18(5)12-15(2)13-19(23)6;2-1(3,4)8(5,6)7;/h2*7-13H,1-6H3;(H,5,6,7);/q;;;+1/p-1
InChIKeyUKQNWZRVANUHIO-UHFFFAOYSA-M
MW887.86 g/mol
LogP12.58
Rot. Bonds4

About silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate

silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate (PubChem CID 139133704) has the molecular formula C47H50AgF3N2O3S and a molecular weight of 887.86 g/mol. Its IUPAC name is silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate
PubChem CID139133704
Molecular FormulaC47H50AgF3N2O3S
Molecular Weight887.86 g/mol
Exact Mass886.25
IUPAC Namesilver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)n2)c(C)c1.Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)n2)c(C)c1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/2C23H25N.CHF3O3S.Ag/c2*1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24-20)23-18(5)12-15(2)13-19(23)6;2-1(3,4)8(5,6)7;/h2*7-13H,1-6H3;(H,5,6,7);/q;;;+1/p-1
InChIKeyUKQNWZRVANUHIO-UHFFFAOYSA-M
XLogP12.58
TPSA82.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.86
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-Methyl-2,6-bis[2-[4-(2-methylphenyl)phenyl]ethynyl]pyridin-1-ium;trifluoromethanesulfonate
CID 122181646
1-Methyl-2,6-bis[2-[4-(3-methylphenyl)phenyl]ethynyl]pyridin-1-ium;trifluoromethanesulfonate
CID 122181648
1-Methyl-2,6-bis[2-[4-(4-methylphenyl)phenyl]ethynyl]pyridin-1-ium;trifluoromethanesulfonate
CID 122181654
3-[6'-Methyl-4'-(4-trifluoromethyl-phenyl)-[2,2']bipyridinyl-6-yl]-benzenesulfonamide
CID 24760738
7,18-bis[(E)-2-[4-(1,2,2-triphenylvinyl)phenyl]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 176457087
4-[(E)-2-[20-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-8,19-diazoniapentacyclo[13.9.0.02,12.03,8.019,24]tetracosa-1(15),2(12),3,5,7,13,19,21,23-nonaen-7-yl]ethenyl]-N,N-dimethylaniline;bis(trifluoromethanesulfonate)
CID 118539914
3,4-Diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline
CID 11487827
9-Phenyl-10-[2-(2,4,6-trimethylphenyl)ethynyl]acridin-10-ium;trifluoromethanesulfonate
CID 13416663
2,4-Diphenyl-1-propan-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium;trifluoromethanesulfonate
CID 44888293
4-[10-[2,6-Bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine
CID 132551112
5,7,12,14-Tetrakis[4-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
CID 138980814
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

Frequently Asked Questions

What is the IUPAC name of silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate?
The IUPAC name of silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate (CID 139133704) is silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate.
What is the SMILES notation for silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate?
The canonical SMILES for silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate is Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)n2)c(C)c1.Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)n2)c(C)c1.O=S(=O)([O-])C(F)(F)F.[Ag+].
What is the InChIKey of silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate?
The InChIKey is UKQNWZRVANUHIO-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H25N.CHF3O3S.Ag/c2*1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24-20)23-18(5)12-15(2)13-19(23)6;2-1(3,4)8(5,6)7;/h2*7-13H,1-6H3;(H,5,6,7);/q;;;+1/p-1.
What are the key properties of silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate?
silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate has a molecular weight of 887.86 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for silver;bis(2,6-bis(2,4,6-trimethylphenyl)pyridine);trifluoromethanesulfonate is sourced from PubChem (CID 139133704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).