chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane

C58H37AgClF14Ir2N8O6S2-3 — CID 159284224

IUPACchloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane
SMILESCc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cl[Ir+2].O=S(=O)(O)C(F)(F)F.O=[Ag].O=[S-](=O)C(F)(F)F.[Ir]
InChIInChI=1S/4C14H9F2N2.CHF3O3S.CF3O2S.Ag.ClH.2Ir.O/c4*1-9-4-5-18-11(6-9)8-14(17-18)12-3-2-10(15)7-13(12)16;2-1(3,4)8(5,6)7;2-1(3,4)7(5)6;;;;;/h4*2,4-8H,1H3;(H,5,6,7);;;1H;;;/q4*-1;;-1;;;;+3;/p-1
InChIKeyXFHYBIPNGBWQGV-UHFFFAOYSA-M
MW1799.84 g/mol
LogP15.33
Rot. Bonds4

About chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane

chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane (PubChem CID 159284224) has the molecular formula C58H37AgClF14Ir2N8O6S2-3 and a molecular weight of 1799.84 g/mol. Its IUPAC name is chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane.

Molecular Properties

Compound Namechloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane
PubChem CID159284224
Molecular FormulaC58H37AgClF14Ir2N8O6S2-3
Molecular Weight1799.84 g/mol
Exact Mass1799.01
IUPAC Namechloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane
SMILESCc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cl[Ir+2].O=S(=O)(O)C(F)(F)F.O=[Ag].O=[S-](=O)C(F)(F)F.[Ir]
InChIInChI=1S/4C14H9F2N2.CHF3O3S.CF3O2S.Ag.ClH.2Ir.O/c4*1-9-4-5-18-11(6-9)8-14(17-18)12-3-2-10(15)7-13(12)16;2-1(3,4)8(5,6)7;2-1(3,4)7(5)6;;;;;/h4*2,4-8H,1H3;(H,5,6,7);;;1H;;;/q4*-1;;-1;;;;+3;/p-1
InChIKeyXFHYBIPNGBWQGV-UHFFFAOYSA-M
XLogP15.33
TPSA174.78 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001799.84
LogP ≤ 515.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

Bis{mu~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine-kappa^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)
CID 139060498
[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
CID 139080008
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
Tris(2,6-bis[1-(4-methylphenyl)triazol-4-yl]pyridine);europium(3+);tris(trifluoromethanesulfonate)
CID 139143395
Hexacopper;hexakis(pyrazol-1-ide);tetrakis(pyridine);4-pyridin-4-ylpyridine;tetrakis(trifluoromethanesulfonate);dihydroxide
CID 139144709
Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
CID 139147453
CID 58510484
CID 58510484
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510488
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729586
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729592
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729601
N,N-bis(4-pentylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-ethyl-2,6-bis(4-ethyl-2-pyridinyl)pyridine;ruthenium(2+);isothiocyanate
CID 140701022

Frequently Asked Questions

What is the IUPAC name of chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane?
The IUPAC name of chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane (CID 159284224) is chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane.
What is the SMILES notation for chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane?
The canonical SMILES for chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane is Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.Cl[Ir+2].O=S(=O)(O)C(F)(F)F.O=[Ag].O=[S-](=O)C(F)(F)F.[Ir].
What is the InChIKey of chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane?
The InChIKey is XFHYBIPNGBWQGV-UHFFFAOYSA-M. The full InChI is InChI=1S/4C14H9F2N2.CHF3O3S.CF3O2S.Ag.ClH.2Ir.O/c4*1-9-4-5-18-11(6-9)8-14(17-18)12-3-2-10(15)7-13(12)16;2-1(3,4)8(5,6)7;2-1(3,4)7(5)6;;;;;/h4*2,4-8H,1H3;(H,5,6,7);;;1H;;;/q4*-1;;-1;;;;+3;/p-1.
What are the key properties of chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane?
chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane has a molecular weight of 1799.84 g/mol, XLogP of 15.33, 4 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane is sourced from PubChem (CID 159284224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).