[(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide

C89H97F9Ir4N27O-4 — CID 159287752

About [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide

[(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide (PubChem CID 159287752) has the molecular formula C89H97F9Ir4N27O-4 and a molecular weight of 2500.79 g/mol. Its IUPAC name is [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide.

Molecular Properties

• Compound Name: [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide
• PubChem CID: 159287752
• Molecular Formula: C89H97F9Ir4N27O-4
• Molecular Weight: 2500.79 g/mol
• Exact Mass: 2502.68
• IUPAC Name: [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide
• SMILES: CC(C)[N-]C([N-]C(C)C)n1cccn1.CC(C)[N-]C([N-]C(C)C)n1cncn1.CN1C=CN(c2[c-]cc3c(c2)oc2ccccc23)[CH-]1.Cc1cc(C(F)(F)F)nn1C([N-]C(C)C)[N-]C(C)C.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.[C-]#[N+]c1c(C#N)ncn1C([N-]C(C)C)[N-]C(C)C.[Ir+3].[Ir+3].[Ir+3].[Ir]
• InChI: InChI=1S/C16H12N2O.C12H19F3N4.C12H16N6.3C10H5F2N2.C10H18N4.C9H17N5.4Ir/c1-17-8-9-18(11-17)12-6-7-14-13-4-2-3-5-15(13)19-16(14)10-12;1-7(2)16-11(17-8(3)4)19-9(5)6-10(18-19)12(13,14)15;1-8(2)16-12(17-9(3)4)18-7-15-10(6-13)11(18)14-5;3*11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;1-8(2)12-10(13-9(3)4)14-7-5-6-11-14;1-7(2)12-9(13-8(3)4)14-6-10-5-11-14;;;;/h2-5,7-11H,1H3;6-8,11H,1-5H3;7-9,12H,1-4H3;3*1-3,5-6H;5-10H,1-4H3;5-9H,1-4H3;;;;/q3*-2;3*-1;2*-2;;3*+3
• InChIKey: IELHSFLSGJOOCV-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 322.08 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2500.79
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide?

The IUPAC name of [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide (CID 159287752) is [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide.

What is the SMILES notation for [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide?

The canonical SMILES for [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide is CC(C)[N-]C([N-]C(C)C)n1cccn1.CC(C)[N-]C([N-]C(C)C)n1cncn1.CN1C=CN(c2[c-]cc3c(c2)oc2ccccc23)[CH-]1.Cc1cc(C(F)(F)F)nn1C([N-]C(C)C)[N-]C(C)C.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.[C-]#[N+]c1c(C#N)ncn1C([N-]C(C)C)[N-]C(C)C.[Ir+3].[Ir+3].[Ir+3].[Ir].

What is the InChIKey of [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide?

The InChIKey is IELHSFLSGJOOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O.C12H19F3N4.C12H16N6.3C10H5F2N2.C10H18N4.C9H17N5.4Ir/c1-17-8-9-18(11-17)12-6-7-14-13-4-2-3-5-15(13)19-16(14)10-12;1-7(2)16-11(17-8(3)4)19-9(5)6-10(18-19)12(13,14)15;1-8(2)16-12(17-9(3)4)18-7-15-10(6-13)11(18)14-5;3*11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;1-8(2)12-10(13-9(3)4)14-7-5-6-11-14;1-7(2)12-9(13-8(3)4)14-6-10-5-11-14;;;;/h2-5,7-11H,1H3;6-8,11H,1-5H3;7-9,12H,1-4H3;3*1-3,5-6H;5-10H,1-4H3;5-9H,1-4H3;;;;/q3*-2;3*-1;2*-2;;3*+3.

What are the key properties of [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide?

[(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide has a molecular weight of 2500.79 g/mol, XLogP of 23.14, 24 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [(4-cyano-5-isocyanoimidazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;tris(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);iridium;tris(iridium(3+));[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;propan-2-yl-[propan-2-ylazanidyl(1,2,4-triazol-1-yl)methyl]azanide is sourced from PubChem (CID 159287752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).