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

C33H32AgAu2ClF3IN14O3S-4 — CID 158641023

IUPACchlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate
SMILESCN1C=CN(C)[CH-]1.CN1C=CN(C)[CH-]1.Cl[Au].O=S(=O)([O-])C(F)(F)F.[Ag]I.[Au+3].c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1.c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1
InChIInChI=1S/2C11H7N5.2C5H9N2.CHF3O3S.Ag.2Au.ClH.HI/c2*1-2-8(10-12-4-5-13-10)16-9(3-1)11-14-6-7-15-11;2*1-6-3-4-7(2)5-6;2-1(3,4)8(5,6)7;;;;;/h2*1-7H;2*3-5H,1-2H3;(H,5,6,7);;;;2*1H/q2*-2;2*-1;;2*+1;+3;;/p-3
InChIKeyABQQTVFJYCNQLO-UHFFFAOYSA-K
MW1425.93 g/mol
LogP4.77
Rot. Bonds4

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

chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate (PubChem CID 158641023) has the molecular formula C33H32AgAu2ClF3IN14O3S-4 and a molecular weight of 1425.93 g/mol. Its IUPAC name is chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate.

Molecular Properties

Compound Namechlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate
PubChem CID158641023
Molecular FormulaC33H32AgAu2ClF3IN14O3S-4
Molecular Weight1425.93 g/mol
Exact Mass1423.96
IUPAC Namechlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate
SMILESCN1C=CN(C)[CH-]1.CN1C=CN(C)[CH-]1.Cl[Au].O=S(=O)([O-])C(F)(F)F.[Ag]I.[Au+3].c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1.c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1
InChIInChI=1S/2C11H7N5.2C5H9N2.CHF3O3S.Ag.2Au.ClH.HI/c2*1-2-8(10-12-4-5-13-10)16-9(3-1)11-14-6-7-15-11;2*1-6-3-4-7(2)5-6;2-1(3,4)8(5,6)7;;;;;/h2*1-7H;2*3-5H,1-2H3;(H,5,6,7);;;;2*1H/q2*-2;2*-1;;2*+1;+3;;/p-3
InChIKeyABQQTVFJYCNQLO-UHFFFAOYSA-K
XLogP4.77
TPSA203.90 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001425.93
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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
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;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
bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dibutyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate
CID 159141926
bromosilver;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-methyl-3-octyl-2H-imidazol-2-ide);trifluoromethanesulfonate
CID 159250418
bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);trifluoromethanesulfonate
CID 159477686
bromosilver;chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);gold(3+);bis(1-hexadecyl-3-methyl-2H-imidazol-2-ide);trifluoromethanesulfonate
CID 159601776

Frequently Asked Questions

What is the IUPAC name of chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate?
The IUPAC name of 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) is chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate.
What is the SMILES notation for chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate?
The canonical SMILES for chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate is CN1C=CN(C)[CH-]1.CN1C=CN(C)[CH-]1.Cl[Au].O=S(=O)([O-])C(F)(F)F.[Ag]I.[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 chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate?
The InChIKey is ABQQTVFJYCNQLO-UHFFFAOYSA-K. The full InChI is InChI=1S/2C11H7N5.2C5H9N2.CHF3O3S.Ag.2Au.ClH.HI/c2*1-2-8(10-12-4-5-13-10)16-9(3-1)11-14-6-7-15-11;2*1-6-3-4-7(2)5-6;2-1(3,4)8(5,6)7;;;;;/h2*1-7H;2*3-5H,1-2H3;(H,5,6,7);;;;2*1H/q2*-2;2*-1;;2*+1;+3;;/p-3.
What are the key properties of chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate?
chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate has a molecular weight of 1425.93 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate is sourced from PubChem (CID 158641023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).