2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)

C98H85F7Ir4N23Pt-4 — CID 157306924

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)
SMILESCC(C)CCc1c[c-]n(-c2ccccn2)n1.C[n+]1cc[n-]c1-c1[c-]cccc1.Cc1c[c-]n(-c2ccccn2)n1.Cc1cn(-c2ccccn2)[c-]n1.Cc1n[c-]n(-c2ccccn2)c1C.Fc1c[c-]c(-c2ccccn2)cc1F.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.[H]/N=C(C)/C=[C-]\Nc1cccc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)n1.[Ir+3].[Ir].[Ir].[Ir].[Pt+2]
InChIInChI=1S/C21H19F3N6.C15H9F2N2.C13H16N3.C11H6F2N.C10H10N3.C10H9N2.2C9H8N3.4Ir.Pt/c1-14(25)10-12-26-18-8-4-6-15(27-18)20(2,3)16-7-5-9-19(28-16)30-13-11-17(29-30)21(22,23)24;16-11-6-7-13(14(17)10-11)15-18-8-9-19(15)12-4-2-1-3-5-12;1-11(2)6-7-12-8-10-16(15-12)13-5-3-4-9-14-13;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-8-9(2)13(7-12-8)10-5-3-4-6-11-10;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-8-5-7-12(11-8)9-4-2-3-6-10-9;1-8-6-12(7-11-8)9-4-2-3-5-10-9;;;;;/h4-11,25H,1-3H3,(H,26,27);1-6,8-10H;3-5,8-9,11H,6-7H2,1-2H3;1-3,5-7H;3-6H,1-2H3;2-5,7-8H,1H3;2*2-6H,1H3;;;;;/q-2;7*-1;;;;+3;+2/b25-14+;;;;;;;;;;;;
InChIKeyOZFYTYAUGQLLDX-IBQIKCNPSA-N
MW2681.85 g/mol
LogP19.04
Rot. Bonds17

About 2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)

2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+) (PubChem CID 157306924) has the molecular formula C98H85F7Ir4N23Pt-4 and a molecular weight of 2681.85 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+).

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)
PubChem CID157306924
Molecular FormulaC98H85F7Ir4N23Pt-4
Molecular Weight2681.85 g/mol
Exact Mass2683.54
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)
SMILESCC(C)CCc1c[c-]n(-c2ccccn2)n1.C[n+]1cc[n-]c1-c1[c-]cccc1.Cc1c[c-]n(-c2ccccn2)n1.Cc1cn(-c2ccccn2)[c-]n1.Cc1n[c-]n(-c2ccccn2)c1C.Fc1c[c-]c(-c2ccccn2)cc1F.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.[H]/N=C(C)/C=[C-]\Nc1cccc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)n1.[Ir+3].[Ir].[Ir].[Ir].[Pt+2]
InChIInChI=1S/C21H19F3N6.C15H9F2N2.C13H16N3.C11H6F2N.C10H10N3.C10H9N2.2C9H8N3.4Ir.Pt/c1-14(25)10-12-26-18-8-4-6-15(27-18)20(2,3)16-7-5-9-19(28-16)30-13-11-17(29-30)21(22,23)24;16-11-6-7-13(14(17)10-11)15-18-8-9-19(15)12-4-2-1-3-5-12;1-11(2)6-7-12-8-10-16(15-12)13-5-3-4-9-14-13;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-8-9(2)13(7-12-8)10-5-3-4-6-11-10;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-8-5-7-12(11-8)9-4-2-3-6-10-9;1-8-6-12(7-11-8)9-4-2-3-5-10-9;;;;;/h4-11,25H,1-3H3,(H,26,27);1-6,8-10H;3-5,8-9,11H,6-7H2,1-2H3;1-3,5-7H;3-6H,1-2H3;2-5,7-8H,1H3;2*2-6H,1H3;;;;;/q-2;7*-1;;;;+3;+2/b25-14+;;;;;;;;;;;;
InChIKeyOZFYTYAUGQLLDX-IBQIKCNPSA-N
XLogP19.04
TPSA251.01 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002681.85
LogP ≤ 519.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+) (CID 157306924) is 2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+).
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+) is CC(C)CCc1c[c-]n(-c2ccccn2)n1.C[n+]1cc[n-]c1-c1[c-]cccc1.Cc1c[c-]n(-c2ccccn2)n1.Cc1cn(-c2ccccn2)[c-]n1.Cc1n[c-]n(-c2ccccn2)c1C.Fc1c[c-]c(-c2ccccn2)cc1F.Fc1c[c-]c(-c2nccn2-c2ccccc2)c(F)c1.[H]/N=C(C)/C=[C-]\Nc1cccc(C(C)(C)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)n1.[Ir+3].[Ir].[Ir].[Ir].[Pt+2].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)?
The InChIKey is OZFYTYAUGQLLDX-IBQIKCNPSA-N. The full InChI is InChI=1S/C21H19F3N6.C15H9F2N2.C13H16N3.C11H6F2N.C10H10N3.C10H9N2.2C9H8N3.4Ir.Pt/c1-14(25)10-12-26-18-8-4-6-15(27-18)20(2,3)16-7-5-9-19(28-16)30-13-11-17(29-30)21(22,23)24;16-11-6-7-13(14(17)10-11)15-18-8-9-19(15)12-4-2-1-3-5-12;1-11(2)6-7-12-8-10-16(15-12)13-5-3-4-9-14-13;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-8-9(2)13(7-12-8)10-5-3-4-6-11-10;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-8-5-7-12(11-8)9-4-2-3-6-10-9;1-8-6-12(7-11-8)9-4-2-3-5-10-9;;;;;/h4-11,25H,1-3H3,(H,26,27);1-6,8-10H;3-5,8-9,11H,6-7H2,1-2H3;1-3,5-7H;3-6H,1-2H3;2-5,7-8H,1H3;2*2-6H,1H3;;;;;/q-2;7*-1;;;;+3;+2/b25-14+;;;;;;;;;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+)?
2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+) has a molecular weight of 2681.85 g/mol, XLogP of 19.04, 17 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-dimethyl-2H-imidazol-2-id-1-yl)pyridine;N-(3-iminobut-1-enyl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridin-2-amine;tris(iridium);iridium(3+);2-[3-(3-methylbutyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(4-methyl-2H-imidazol-2-id-1-yl)pyridine;1-methyl-2-phenylimidazol-1-ium-3-ide;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;platinum(2+) is sourced from PubChem (CID 157306924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).