2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile

C120H84F3Ir5N16O2-5 — CID 159936466

About 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile

2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile (PubChem CID 159936466) has the molecular formula C120H84F3Ir5N16O2-5 and a molecular weight of 2800.18 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile
• PubChem CID: 159936466
• Molecular Formula: C120H84F3Ir5N16O2-5
• Molecular Weight: 2800.18 g/mol
• Exact Mass: 2802.51
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-n1cc(C#N)nc1-c1[c-]cccc1.Cc1cc(C)c(-n2cc(C#N)nc2-c2[c-]cc(C)nc2)c(C)c1.Cc1cc(C)c(-n2cc(C#N)nc2-c2[c-]ccc3c2oc2ccccc23)c(C)c1.Cc1ccc2oc3ccccc3c2c1-n1cc(C#N)nc1-c1[c-]cccc1.[C-]#[N+]c1cc[c-]c(-c2nc(C(F)(F)F)cn2-c2c(-c3ccccc3)cccc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C29H17F3N3.C25H18N3O.C24H18N3.C23H14N3O.C19H17N4.5Ir/c1-33-23-15-8-14-22(18-23)28-34-26(29(30,31)32)19-35(28)27-24(20-10-4-2-5-11-20)16-9-17-25(27)21-12-6-3-7-13-21;1-15-11-16(2)23(17(3)12-15)28-14-18(13-26)27-25(28)21-9-6-8-20-19-7-4-5-10-22(19)29-24(20)21;1-17-13-21(19-9-5-3-6-10-19)14-18(2)23(17)27-16-22(15-25)26-24(27)20-11-7-4-8-12-20;1-15-11-12-20-21(18-9-5-6-10-19(18)27-20)22(15)26-14-17(13-24)25-23(26)16-7-3-2-4-8-16;1-12-7-13(2)18(14(3)8-12)23-11-17(9-20)22-19(23)16-6-5-15(4)21-10-16;;;;;/h2-13,15-19H;4-8,10-12,14H,1-3H3;3-11,13-14,16H,1-2H3;2-7,9-12,14H,1H3;5,7-8,10-11H,1-4H3;;;;;/q5*-1
• InChIKey: HDTSAUHMGQRBJD-UHFFFAOYSA-N
• XLogP: 29.02
• TPSA: 227.79 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2800.18
LogP ≤ 5	29.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile (CID 159936466) is 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile is Cc1cc(-c2ccccc2)cc(C)c1-n1cc(C#N)nc1-c1[c-]cccc1.Cc1cc(C)c(-n2cc(C#N)nc2-c2[c-]cc(C)nc2)c(C)c1.Cc1cc(C)c(-n2cc(C#N)nc2-c2[c-]ccc3c2oc2ccccc23)c(C)c1.Cc1ccc2oc3ccccc3c2c1-n1cc(C#N)nc1-c1[c-]cccc1.[C-]#[N+]c1cc[c-]c(-c2nc(C(F)(F)F)cn2-c2c(-c3ccccc3)cccc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile?

The InChIKey is HDTSAUHMGQRBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17F3N3.C25H18N3O.C24H18N3.C23H14N3O.C19H17N4.5Ir/c1-33-23-15-8-14-22(18-23)28-34-26(29(30,31)32)19-35(28)27-24(20-10-4-2-5-11-20)16-9-17-25(27)21-12-6-3-7-13-21;1-15-11-16(2)23(17(3)12-15)28-14-18(13-26)27-25(28)21-9-6-8-20-19-7-4-5-10-22(19)29-24(20)21;1-17-13-21(19-9-5-3-6-10-19)14-18(2)23(17)27-16-22(15-25)26-24(27)20-11-7-4-8-12-20;1-15-11-12-20-21(18-9-5-6-10-19(18)27-20)22(15)26-14-17(13-24)25-23(26)16-7-3-2-4-8-16;1-12-7-13(2)18(14(3)8-12)23-11-17(9-20)22-19(23)16-6-5-15(4)21-10-16;;;;;/h2-13,15-19H;4-8,10-12,14H,1-3H3;3-11,13-14,16H,1-2H3;2-7,9-12,14H,1H3;5,7-8,10-11H,1-4H3;;;;;/q5*-1;;;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile?

2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile has a molecular weight of 2800.18 g/mol, XLogP of 29.02, 13 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole-4-carbonitrile;1-(2,6-diphenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)-4-(trifluoromethyl)imidazole;pentakis(iridium);1-(2-methyldibenzofuran-1-yl)-2-phenylimidazole-4-carbonitrile;2-(6-methyl-4H-pyridin-4-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile is sourced from PubChem (CID 159936466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).