bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide)

C115H133F19Ir5N31 — CID 158243642

IUPACbis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide)
SMILESCC(C)(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.CC(C)(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.CC(C)[N-]C([N-]C(C)C)n1ccc(C(F)(F)F)n1.CC(C)[N-]C([N-]C(C)C)n1ccc(C(F)(F)F)n1.CC(C)[N-]C([N-]C(C)C)n1ccc(C(F)(F)F)n1.CC(C)[N-]C([N-]C(C)C)n1cccn1.Cc1ccnc(-c2[c-]cc(F)c(C)c2F)c1.Cc1nnnn1C([N-]C(C)C)[N-]C(C)C.Fc1c[c-]c(-c2ccccn2)c(F)n1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/2C14H13F2N2.C13H10F2N.C12H5F2N2.3C11H17F3N4.C10H5F2N2.C10H18N4.C9H18N6.5Ir/c2*1-14(2,3)9-6-7-17-11(8-9)10-4-5-12(15)18-13(10)16;1-8-5-6-16-12(7-8)10-3-4-11(14)9(2)13(10)15;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;3*1-7(2)15-10(16-8(3)4)18-6-5-9(17-18)11(12,13)14;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;1-6(2)10-9(11-7(3)4)15-8(5)12-13-14-15;;;;;/h2*5-8H,1-3H3;4-7H,1-2H3;2-4,6-7H;3*5-8,10H,1-4H3;1-3,5-6H;5-10H,1-4H3;6-7,9H,1-5H3;;;;;/q4*-1;3*-2;-1;2*-2;5*+3
InChIKeyUMDLSBZHMFFKQM-UHFFFAOYSA-N
MW3271.59 g/mol
LogP32.74
Rot. Bonds30

About bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide)

bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide) (PubChem CID 158243642) has the molecular formula C115H133F19Ir5N31 and a molecular weight of 3271.59 g/mol. Its IUPAC name is bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide).

Molecular Properties

Compound Namebis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide)
PubChem CID158243642
Molecular FormulaC115H133F19Ir5N31
Molecular Weight3271.59 g/mol
Exact Mass3273.92
IUPAC Namebis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide)
SMILESCC(C)(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.CC(C)(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.CC(C)[N-]C([N-]C(C)C)n1ccc(C(F)(F)F)n1.CC(C)[N-]C([N-]C(C)C)n1ccc(C(F)(F)F)n1.CC(C)[N-]C([N-]C(C)C)n1ccc(C(F)(F)F)n1.CC(C)[N-]C([N-]C(C)C)n1cccn1.Cc1ccnc(-c2[c-]cc(F)c(C)c2F)c1.Cc1nnnn1C([N-]C(C)C)[N-]C(C)C.Fc1c[c-]c(-c2ccccn2)c(F)n1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/2C14H13F2N2.C13H10F2N.C12H5F2N2.3C11H17F3N4.C10H5F2N2.C10H18N4.C9H18N6.5Ir/c2*1-14(2,3)9-6-7-17-11(8-9)10-4-5-12(15)18-13(10)16;1-8-5-6-16-12(7-8)10-3-4-11(14)9(2)13(10)15;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;3*1-7(2)15-10(16-8(3)4)18-6-5-9(17-18)11(12,13)14;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;1-6(2)10-9(11-7(3)4)15-8(5)12-13-14-15;;;;;/h2*5-8H,1-3H3;4-7H,1-2H3;2-4,6-7H;3*5-8,10H,1-4H3;1-3,5-6H;5-10H,1-4H3;6-7,9H,1-5H3;;;;;/q4*-1;3*-2;-1;2*-2;5*+3
InChIKeyUMDLSBZHMFFKQM-UHFFFAOYSA-N
XLogP32.74
TPSA363.36 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003271.59
LogP ≤ 532.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide)?
The IUPAC name of bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide) (CID 158243642) is bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide).
What is the SMILES notation for bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide)?
The canonical SMILES for bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide) is CC(C)(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.CC(C)(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.CC(C)[N-]C([N-]C(C)C)n1ccc(C(F)(F)F)n1.CC(C)[N-]C([N-]C(C)C)n1ccc(C(F)(F)F)n1.CC(C)[N-]C([N-]C(C)C)n1ccc(C(F)(F)F)n1.CC(C)[N-]C([N-]C(C)C)n1cccn1.Cc1ccnc(-c2[c-]cc(F)c(C)c2F)c1.Cc1nnnn1C([N-]C(C)C)[N-]C(C)C.Fc1c[c-]c(-c2ccccn2)c(F)n1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].
What is the InChIKey of bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide)?
The InChIKey is UMDLSBZHMFFKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13F2N2.C13H10F2N.C12H5F2N2.3C11H17F3N4.C10H5F2N2.C10H18N4.C9H18N6.5Ir/c2*1-14(2,3)9-6-7-17-11(8-9)10-4-5-12(15)18-13(10)16;1-8-5-6-16-12(7-8)10-3-4-11(14)9(2)13(10)15;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;3*1-7(2)15-10(16-8(3)4)18-6-5-9(17-18)11(12,13)14;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;1-6(2)10-9(11-7(3)4)15-8(5)12-13-14-15;;;;;/h2*5-8H,1-3H3;4-7H,1-2H3;2-4,6-7H;3*5-8,10H,1-4H3;1-3,5-6H;5-10H,1-4H3;6-7,9H,1-5H3;;;;;/q4*-1;3*-2;-1;2*-2;5*+3.
What are the key properties of bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide)?
bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide) has a molecular weight of 3271.59 g/mol, XLogP of 32.74, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-methylbenzene-6-id-1-yl)-4-methylpyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium(3+));[(5-methyltetrazol-1-yl)-propan-2-ylazanidylmethyl]-propan-2-ylazanide;propan-2-yl-[propan-2-ylazanidyl(pyrazol-1-yl)methyl]azanide;tris(propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide) is sourced from PubChem (CID 158243642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).