bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate

C51H68AgAu2BrClF3N14O3S-4 — CID 159908061

IUPACbromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate
SMILESBr[Ag].CCCCCCCCCCN1C=CN(C)[CH-]1.CCCCCCCCCCN1C=CN(C)[CH-]1.Cl[Au].O=S(=O)([O-])C(F)(F)F.[Au+3].c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1.c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1
InChIInChI=1S/2C14H27N2.2C11H7N5.CHF3O3S.Ag.2Au.BrH.ClH/c2*1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;2*1-2-8(10-12-4-5-13-10)16-9(3-1)11-14-6-7-15-11;2-1(3,4)8(5,6)7;;;;;/h2*12-14H,3-11H2,1-2H3;2*1-7H;(H,5,6,7);;;;2*1H/q2*-1;2*-2;;2*+1;+3;;/p-3
InChIKeyNHSNMDQKRMHHNV-UHFFFAOYSA-K
MW1631.42 g/mol
LogP11.75
Rot. Bonds22

About bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate

bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate (PubChem CID 159908061) has the molecular formula C51H68AgAu2BrClF3N14O3S-4 and a molecular weight of 1631.42 g/mol. Its IUPAC name is bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate.

Molecular Properties

Compound Namebromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate
PubChem CID159908061
Molecular FormulaC51H68AgAu2BrClF3N14O3S-4
Molecular Weight1631.42 g/mol
Exact Mass1628.25
IUPAC Namebromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate
SMILESBr[Ag].CCCCCCCCCCN1C=CN(C)[CH-]1.CCCCCCCCCCN1C=CN(C)[CH-]1.Cl[Au].O=S(=O)([O-])C(F)(F)F.[Au+3].c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1.c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1
InChIInChI=1S/2C14H27N2.2C11H7N5.CHF3O3S.Ag.2Au.BrH.ClH/c2*1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;2*1-2-8(10-12-4-5-13-10)16-9(3-1)11-14-6-7-15-11;2-1(3,4)8(5,6)7;;;;;/h2*12-14H,3-11H2,1-2H3;2*1-7H;(H,5,6,7);;;;2*1H/q2*-1;2*-2;;2*+1;+3;;/p-3
InChIKeyNHSNMDQKRMHHNV-UHFFFAOYSA-K
XLogP11.75
TPSA203.90 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001631.42
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

bis(2,6-bis(1H-imidazol-2-yl)pyridine);ethoxyethane;manganese(2+);bis(trifluoromethanesulfonate)
CID 139155466
tetrakis(2,6-bis(1H-imidazol-2-yl)pyridine);bis(manganese(2+));tetrakis(trifluoromethanesulfonate)
CID 139155467
dichloromethane;iron(4+);[6-[[(2S)-2-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-tri(propan-2-yl)silane;bis(trifluoromethanesulfonate)
CID 168333374
acetonitrile;N,N-bis[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-ylmethanamine;iron(3+);bis(trifluoromethanesulfonate)
CID 168343661
Iron(2+);[6-[[2-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-tri(propan-2-yl)silane;bis(trifluoromethanesulfonic acid)
CID 176431422
iron(2+);[6-[[(2S)-2-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-tri(propan-2-yl)silane;bis(trifluoromethanesulfonic acid)
CID 176431430
1-ethyl-2-[[2-[(2R)-1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]benzimidazole;manganese(2+);trifluoromethanesulfonic acid;hydrate
CID 142284155
bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate
CID 157426389
bromosilver;chlorogold;bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate
CID 158409305
chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate
CID 158641023
bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate
CID 158753234
bromosilver;bis(1-butyl-3-methyl-2H-imidazol-2-ide);chlorogold;bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);trifluoromethanesulfonate
CID 158795624

Frequently Asked Questions

What is the IUPAC name of bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate?
The IUPAC name of bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate (CID 159908061) is bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate.
What is the SMILES notation for bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate?
The canonical SMILES for bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate is Br[Ag].CCCCCCCCCCN1C=CN(C)[CH-]1.CCCCCCCCCCN1C=CN(C)[CH-]1.Cl[Au].O=S(=O)([O-])C(F)(F)F.[Au+3].c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1.c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1.
What is the InChIKey of bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate?
The InChIKey is NHSNMDQKRMHHNV-UHFFFAOYSA-K. The full InChI is InChI=1S/2C14H27N2.2C11H7N5.CHF3O3S.Ag.2Au.BrH.ClH/c2*1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;2*1-2-8(10-12-4-5-13-10)16-9(3-1)11-14-6-7-15-11;2-1(3,4)8(5,6)7;;;;;/h2*12-14H,3-11H2,1-2H3;2*1-7H;(H,5,6,7);;;;2*1H/q2*-1;2*-2;;2*+1;+3;;/p-3.
What are the key properties of bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate?
bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate has a molecular weight of 1631.42 g/mol, XLogP of 11.75, 22 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bromosilver;chlorogold;bis(1-decyl-3-methyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate is sourced from PubChem (CID 159908061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).