5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide

C82H77Ir5N14O2S2-5 — CID 158170998

IUPAC5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide
SMILESCc1cc(-c2ccccc2)cc(-c2n[c-]c(-c3nccn3C)o2)c1.Cc1ccc(-c2cnc(-c3[c-]cco3)n2C)s1.Cc1cccc(C)c1-c1c[c-]c(-c2nccn2C)s1.Cc1cccc(C)c1-c1cnc(-c2[c-]ccn2C)n1C.Cc1cccc(C)c1-c1cnc(-c2[c-]ncn2C)n1C.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C20H16N3O.C17H18N3.C16H17N4.C16H15N2S.C13H11N2OS.5Ir/c1-14-10-16(15-6-4-3-5-7-15)12-17(11-14)20-22-13-18(24-20)19-21-8-9-23(19)2;1-12-7-5-8-13(2)16(12)15-11-18-17(20(15)4)14-9-6-10-19(14)3;1-11-6-5-7-12(2)15(11)13-9-18-16(20(13)4)14-8-17-10-19(14)3;1-11-5-4-6-12(2)15(11)13-7-8-14(19-13)16-17-9-10-18(16)3;1-9-5-6-12(17-9)10-8-14-13(15(10)2)11-4-3-7-16-11;;;;;/h3-12H,1-2H3;5-8,10-11H,1-4H3;5-7,9-10H,1-4H3;4-7,9-10H,1-3H3;3,5-8H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyGXDJVGREWUYXFM-UHFFFAOYSA-N
MW2315.83 g/mol
LogP18.67
Rot. Bonds11

About 5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide

5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide (PubChem CID 158170998) has the molecular formula C82H77Ir5N14O2S2-5 and a molecular weight of 2315.83 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide
PubChem CID158170998
Molecular FormulaC82H77Ir5N14O2S2-5
Molecular Weight2315.83 g/mol
Exact Mass2318.40
IUPAC Name5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide
SMILESCc1cc(-c2ccccc2)cc(-c2n[c-]c(-c3nccn3C)o2)c1.Cc1ccc(-c2cnc(-c3[c-]cco3)n2C)s1.Cc1cccc(C)c1-c1c[c-]c(-c2nccn2C)s1.Cc1cccc(C)c1-c1cnc(-c2[c-]ccn2C)n1C.Cc1cccc(C)c1-c1cnc(-c2[c-]ncn2C)n1C.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C20H16N3O.C17H18N3.C16H17N4.C16H15N2S.C13H11N2OS.5Ir/c1-14-10-16(15-6-4-3-5-7-15)12-17(11-14)20-22-13-18(24-20)19-21-8-9-23(19)2;1-12-7-5-8-13(2)16(12)15-11-18-17(20(15)4)14-9-6-10-19(14)3;1-11-6-5-7-12(2)15(11)13-9-18-16(20(13)4)14-8-17-10-19(14)3;1-11-5-4-6-12(2)15(11)13-7-8-14(19-13)16-17-9-10-18(16)3;1-9-5-6-12(17-9)10-8-14-13(15(10)2)11-4-3-7-16-11;;;;;/h3-12H,1-2H3;5-8,10-11H,1-4H3;5-7,9-10H,1-4H3;4-7,9-10H,1-3H3;3,5-8H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyGXDJVGREWUYXFM-UHFFFAOYSA-N
XLogP18.67
TPSA151.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002315.83
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide with MolForge

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Related Compounds

2-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-3-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindazole;1-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-5-(2,4,6-trimethylphenyl)pyrazole;2,3-dimethyl-7-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]-3,6-dihydro-2H-furo[3,2-b]pyridin-6-ide;1-(2,3-diphenyl-3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-5-phenylpyrazole;pentakis(iridium);3-[7-[1-(2-methylphenyl)imidazol-2-yl]-6H-1-benzothiophen-6-id-2-yl]pyridine
CID 157492878
1,4-bis(2,6-dimethylphenyl)-2-[3-(2,6-dimethylphenyl)-4-methylbenzene-6-id-1-yl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-4,5-diphenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3,6-dihydro-2H-1-benzofuran-6-id-5-yl)-1-(2-methyl-6-phenylphenyl)imidazole;2-[3-(2,6-dimethylphenyl)-4-methoxybenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium)
CID 158720155
3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide
CID 159212477
5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;tetrakis(iridium)
CID 162111045

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide?
The IUPAC name of 5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide (CID 158170998) is 5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide?
The canonical SMILES for 5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide is Cc1cc(-c2ccccc2)cc(-c2n[c-]c(-c3nccn3C)o2)c1.Cc1ccc(-c2cnc(-c3[c-]cco3)n2C)s1.Cc1cccc(C)c1-c1c[c-]c(-c2nccn2C)s1.Cc1cccc(C)c1-c1cnc(-c2[c-]ccn2C)n1C.Cc1cccc(C)c1-c1cnc(-c2[c-]ncn2C)n1C.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide?
The InChIKey is GXDJVGREWUYXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N3O.C17H18N3.C16H17N4.C16H15N2S.C13H11N2OS.5Ir/c1-14-10-16(15-6-4-3-5-7-15)12-17(11-14)20-22-13-18(24-20)19-21-8-9-23(19)2;1-12-7-5-8-13(2)16(12)15-11-18-17(20(15)4)14-9-6-10-19(14)3;1-11-6-5-7-12(2)15(11)13-9-18-16(20(13)4)14-8-17-10-19(14)3;1-11-5-4-6-12(2)15(11)13-7-8-14(19-13)16-17-9-10-18(16)3;1-9-5-6-12(17-9)10-8-14-13(15(10)2)11-4-3-7-16-11;;;;;/h3-12H,1-2H3;5-8,10-11H,1-4H3;5-7,9-10H,1-4H3;4-7,9-10H,1-3H3;3,5-8H,1-2H3;;;;;/q5*-1;;;;;.
What are the key properties of 5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide?
5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide has a molecular weight of 2315.83 g/mol, XLogP of 18.67, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-4H-imidazol-4-id-5-yl)imidazole;5-(2,6-dimethylphenyl)-1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;2-[5-(2,6-dimethylphenyl)-3H-thiophen-3-id-2-yl]-1-methylimidazole;2-(3H-furan-3-id-2-yl)-1-methyl-5-(5-methylthiophen-2-yl)imidazole;pentakis(iridium);5-(1-methylimidazol-2-yl)-2-(3-methyl-5-phenylphenyl)-4H-1,3-oxazol-4-ide is sourced from PubChem (CID 158170998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).