disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)

C46H36Ag2F6N8O6S2 — CID 139131436

IUPACdisilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1.c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1
InChIInChI=1S/2C22H18N4.2CHF3O3S.2Ag/c2*1-3-10-21-19(8-1)23-15-25(21)13-17-6-5-7-18(12-17)14-26-16-24-20-9-2-4-11-22(20)26;2*2-1(3,4)8(5,6)7;;/h2*1-12,15-16H,13-14H2;2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeyWRKVYYRUAAUETD-UHFFFAOYSA-L
MW1190.70 g/mol
LogP9.06
Rot. Bonds8

About disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)

disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) (PubChem CID 139131436) has the molecular formula C46H36Ag2F6N8O6S2 and a molecular weight of 1190.70 g/mol. Its IUPAC name is disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
PubChem CID139131436
Molecular FormulaC46H36Ag2F6N8O6S2
Molecular Weight1190.70 g/mol
Exact Mass1188.02
IUPAC Namedisilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1.c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1
InChIInChI=1S/2C22H18N4.2CHF3O3S.2Ag/c2*1-3-10-21-19(8-1)23-15-25(21)13-17-6-5-7-18(12-17)14-26-16-24-20-9-2-4-11-22(20)26;2*2-1(3,4)8(5,6)7;;/h2*1-12,15-16H,13-14H2;2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeyWRKVYYRUAAUETD-UHFFFAOYSA-L
XLogP9.06
TPSA185.68 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001190.70
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

1,3-Bis[[4-(2-phenylethynyl)phenyl]methyl]benzimidazol-3-ium;bis(trifluoromethylsulfonyl)azanide
CID 71545419
Bis(trifluoromethylsulfonyl)azanide;1-[[4-(2-phenylethynyl)phenyl]methyl]-3-[6-[3-[[4-(2-phenylethynyl)phenyl]methyl]benzimidazol-3-ium-1-yl]pyridin-2-yl]benzimidazol-1-ium
CID 118732775
1-[[4-(2-Phenylethynyl)phenyl]methyl]-3-[6-[3-[[4-(2-phenylethynyl)phenyl]methyl]benzimidazol-3-ium-1-yl]-2-pyridinyl]benzimidazol-1-ium;bis(trifluoromethanesulfonate)
CID 118732776
Bis(trifluoromethylsulfonyl)azanide;1-[[4-(2-phenylethynyl)phenyl]methyl]-3-[[6-[[3-[[4-(2-phenylethynyl)phenyl]methyl]benzimidazol-3-ium-1-yl]methyl]pyridin-2-yl]methyl]benzimidazol-1-ium
CID 118732779
1-[[4-(2-Phenylethynyl)phenyl]methyl]-3-[[6-[[3-[[4-(2-phenylethynyl)phenyl]methyl]benzimidazol-3-ium-1-yl]methyl]-2-pyridinyl]methyl]benzimidazol-1-ium;bis(trifluoromethanesulfonate)
CID 118732780
Bis(1-cyclohexyl-2-[(1-cyclohexyl-3-methylbenzimidazol-3-ium-2-yl)methyl]-3-methylbenzimidazol-3-ium);tetrakis(trifluoromethanesulfonate)
CID 139108712
Disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)
CID 139119653
disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)
CID 139129189
trisilver;bis(1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 139153801
(2S,29S)-4,27-diaza-11,20-diazoniadecacyclo[28.6.6.14,11.120,27.02,29.05,10.013,18.021,26.031,36.037,42]tetratetraconta-5,7,9,11(44),13,15,17,20(43),21,23,25,31,33,35,37,39,41-heptadecaene;bis(trifluoromethanesulfonate)
CID 139162037
tetrakis(N,N-dimethylformamide);10,19,21,30-tetraza-1,3,12,28-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),3(40),4,6,8,12(39),13,15,17,22,24,26,28(38),31,33,35-hexadecaene;tetrakis(trifluoromethanesulfonate)
CID 168342607
2-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-bis[2-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]ethanamine
CID 168342958

Frequently Asked Questions

What is the IUPAC name of disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) (CID 139131436) is disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1.c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1.
What is the InChIKey of disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?
The InChIKey is WRKVYYRUAAUETD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H18N4.2CHF3O3S.2Ag/c2*1-3-10-21-19(8-1)23-15-25(21)13-17-6-5-7-18(12-17)14-26-16-24-20-9-2-4-11-22(20)26;2*2-1(3,4)8(5,6)7;;/h2*1-12,15-16H,13-14H2;2*(H,5,6,7);;/q;;;;2*+1/p-2.
What are the key properties of disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate)?
disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) has a molecular weight of 1190.70 g/mol, XLogP of 9.06, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139131436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).