azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole

C141H128F20Ir7N14OPt4-16 — CID 157193775

IUPACazanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
SMILESCC.CC(F)(F)F.CC(F)(F)F.CF.COC.FC(F)(F)c1c[c-]c(-n2cccn2)cc1.FC(F)(F)c1ccnc(-c2[c-]cccc2)c1.FC(F)(F)c1ccnc(-c2[c-]cccc2)c1.Fc1c[c-]c(-c2ccc3ccccc3n2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[NH2-].[Pt+4].[Pt].[Pt].[Pt].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C15H8F2N.3C15H10N.2C12H7F3N.C11H8N.C10H6F3N2.C9H5F2N2.C9H7N2.2C2H3F3.C2H6O.C2H6.CH3F.9CH3.7Ir.H2N.4Pt/c16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;3*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2(3,4)5;1-3-2;2*1-2;;;;;;;;;;;;;;;;;;;;;/h1-6,8-9H;3*1-6,8-11H;2*1-4,6-8H;1-6,8-9H;1-4,6-7H;1-2,4-6H;1-5,7-8H;2*1H3;1-2H3;1-2H3;1H3;9*1H3;;;;;;;;1H2;;;;/q10*-1;;;;;;9*-1;;;;;;;;-1;;;;+4
InChIKeyGPWBUHNOPPVBCO-UHFFFAOYSA-N
MW4540.46 g/mol
LogP40.84
Rot. Bonds10

About azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole

azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole (PubChem CID 157193775) has the molecular formula C141H128F20Ir7N14OPt4-16 and a molecular weight of 4540.46 g/mol. Its IUPAC name is azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole.

Molecular Properties

Compound Nameazanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
PubChem CID157193775
Molecular FormulaC141H128F20Ir7N14OPt4-16
Molecular Weight4540.46 g/mol
Exact Mass4543.62
IUPAC Nameazanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
SMILESCC.CC(F)(F)F.CC(F)(F)F.CF.COC.FC(F)(F)c1c[c-]c(-n2cccn2)cc1.FC(F)(F)c1ccnc(-c2[c-]cccc2)c1.FC(F)(F)c1ccnc(-c2[c-]cccc2)c1.Fc1c[c-]c(-c2ccc3ccccc3n2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[NH2-].[Pt+4].[Pt].[Pt].[Pt].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C15H8F2N.3C15H10N.2C12H7F3N.C11H8N.C10H6F3N2.C9H5F2N2.C9H7N2.2C2H3F3.C2H6O.C2H6.CH3F.9CH3.7Ir.H2N.4Pt/c16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;3*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2(3,4)5;1-3-2;2*1-2;;;;;;;;;;;;;;;;;;;;;/h1-6,8-9H;3*1-6,8-11H;2*1-4,6-8H;1-6,8-9H;1-4,6-7H;1-2,4-6H;1-5,7-8H;2*1H3;1-2H3;1-2H3;1H3;9*1H3;;;;;;;;1H2;;;;/q10*-1;;;;;;9*-1;;;;;;;;-1;;;;+4
InChIKeyGPWBUHNOPPVBCO-UHFFFAOYSA-N
XLogP40.84
TPSA186.42 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004540.46
LogP ≤ 540.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole with MolForge

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Related Compounds

4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
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
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(2-phenylpyrazine)
CID 59010556
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
CID 59010559
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
Bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775454
Bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775460
Bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775477
Bis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+)
CID 145727144
Bis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+)
CID 145727150

Frequently Asked Questions

What is the IUPAC name of azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The IUPAC name of azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole (CID 157193775) is azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole.
What is the SMILES notation for azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The canonical SMILES for azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole is CC.CC(F)(F)F.CC(F)(F)F.CF.COC.FC(F)(F)c1c[c-]c(-n2cccn2)cc1.FC(F)(F)c1ccnc(-c2[c-]cccc2)c1.FC(F)(F)c1ccnc(-c2[c-]cccc2)c1.Fc1c[c-]c(-c2ccc3ccccc3n2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[NH2-].[Pt+4].[Pt].[Pt].[Pt].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1.
What is the InChIKey of azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The InChIKey is GPWBUHNOPPVBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N.3C15H10N.2C12H7F3N.C11H8N.C10H6F3N2.C9H5F2N2.C9H7N2.2C2H3F3.C2H6O.C2H6.CH3F.9CH3.7Ir.H2N.4Pt/c16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;3*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2(3,4)5;1-3-2;2*1-2;;;;;;;;;;;;;;;;;;;;;/h1-6,8-9H;3*1-6,8-11H;2*1-4,6-8H;1-6,8-9H;1-4,6-7H;1-2,4-6H;1-5,7-8H;2*1H3;1-2H3;1-2H3;1H3;9*1H3;;;;;;;;1H2;;;;/q10*-1;;;;;;9*-1;;;;;;;;-1;;;;+4.
What are the key properties of azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole has a molecular weight of 4540.46 g/mol, XLogP of 40.84, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;ethane;fluoromethane;heptakis(iridium);methoxymethane;1-phenylpyrazole;2-phenylpyridine;tris(2-phenylquinoline);bis(2-phenyl-4-(trifluoromethyl)pyridine);platinum;platinum(4+);bis(1,1,1-trifluoroethane);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole is sourced from PubChem (CID 157193775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).