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

C33H32AgAu2ClF3IN14O3S-4 — CID 161272431

IUPACchlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);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(-c2ccn[n-]2)nc(-c2ccn[n-]2)c1.c1cc(-c2ccn[n-]2)nc(-c2ccn[n-]2)c1
InChIInChI=1S/2C11H7N5.2C5H9N2.CHF3O3S.Ag.2Au.ClH.HI/c2*1-2-8(10-4-6-12-15-10)14-9(3-1)11-5-7-13-16-11;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
InChIKeyYCWVGDMFMNUENP-UHFFFAOYSA-K
MW1425.93 g/mol
LogP4.77
Rot. Bonds4

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

chlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);iodosilver;trifluoromethanesulfonate (PubChem CID 161272431) has the molecular formula C33H32AgAu2ClF3IN14O3S-4 and a molecular weight of 1425.93 g/mol. Its IUPAC name is chlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);iodosilver;trifluoromethanesulfonate.

Molecular Properties

Compound Namechlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);iodosilver;trifluoromethanesulfonate
PubChem CID161272431
Molecular FormulaC33H32AgAu2ClF3IN14O3S-4
Molecular Weight1425.93 g/mol
Exact Mass1423.96
IUPAC Namechlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);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(-c2ccn[n-]2)nc(-c2ccn[n-]2)c1.c1cc(-c2ccn[n-]2)nc(-c2ccn[n-]2)c1
InChIInChI=1S/2C11H7N5.2C5H9N2.CHF3O3S.Ag.2Au.ClH.HI/c2*1-2-8(10-4-6-12-15-10)14-9(3-1)11-5-7-13-16-11;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
InChIKeyYCWVGDMFMNUENP-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

3,5-Ditert-butylpyrazol-1-ide;hexane;bis(platinum(2+));2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyridin-2-yl-6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;trifluoromethanesulfonate;hydrate
CID 139131684
Dicopper;dioxidanium;methanol;5,13,18,26-tetramethyl-9,22-bis(pyridin-2-ylmethyl)-1,4,9,14,17,22,27,28,29,30-decazapentacyclo[22.2.1.14,7.111,14.117,20]triaconta-5,7(30),11(29),12,18,20(28),24(27),25-octaene;tetrakis(trifluoromethanesulfonate)
CID 168337456
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CID 57772371
Bis(3,5-dimethylpyrazol-1-ide);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772374
Bis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772377
2-(3-Fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));bis(pyrazol-1-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772380
Bis(3,5-dimethylpyrazol-1-ide);2-(3-fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772381
Iridium(3+);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59757597
3,5-Dimethylpyrazol-1-ide;ethane;3-methylpyrazol-2-ide;2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157533346
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
Chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane
CID 158681760
chlorogold;bis(1,3-dimethyl-2H-benzimidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);iodosilver;trifluoromethanesulfonate
CID 158713477

Frequently Asked Questions

What is the IUPAC name of chlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);iodosilver;trifluoromethanesulfonate?
The IUPAC name of chlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);iodosilver;trifluoromethanesulfonate (CID 161272431) is chlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);iodosilver;trifluoromethanesulfonate.
What is the SMILES notation for chlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);iodosilver;trifluoromethanesulfonate?
The canonical SMILES for chlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);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(-c2ccn[n-]2)nc(-c2ccn[n-]2)c1.c1cc(-c2ccn[n-]2)nc(-c2ccn[n-]2)c1.
What is the InChIKey of chlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);iodosilver;trifluoromethanesulfonate?
The InChIKey is YCWVGDMFMNUENP-UHFFFAOYSA-K. The full InChI is InChI=1S/2C11H7N5.2C5H9N2.CHF3O3S.Ag.2Au.ClH.HI/c2*1-2-8(10-4-6-12-15-10)14-9(3-1)11-5-7-13-16-11;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(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);iodosilver;trifluoromethanesulfonate?
chlorogold;bis(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);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(1,3-dimethyl-2H-imidazol-2-ide);bis(2,6-di(pyrazol-2-id-3-yl)pyridine);gold(3+);iodosilver;trifluoromethanesulfonate is sourced from PubChem (CID 161272431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).