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)

C62H61Ir4N11OS2-4 — CID 162111045

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;tetrakis(iridium)
SMILESCc1ccc(-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]
InChIInChI=1S/C17H18N3.C16H17N4.C16H15N2S.C13H11N2OS.4Ir/c1-12-7-5-8-13(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;;;;/h5-8,10-11H,1-4H3;5-7,9-10H,1-4H3;4-7,9-10H,1-3H3;3,5-8H,1-2H3;;;;/q4*-1;;;;
InChIKeySEFZOXJJNHMVPP-UHFFFAOYSA-N
MW1809.25 g/mol
LogP14.15
Rot. Bonds8

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;tetrakis(iridium)

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) (PubChem CID 162111045) has the molecular formula C62H61Ir4N11OS2-4 and a molecular weight of 1809.25 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;tetrakis(iridium).

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;tetrakis(iridium)
PubChem CID162111045
Molecular FormulaC62H61Ir4N11OS2-4
Molecular Weight1809.25 g/mol
Exact Mass1811.30
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;tetrakis(iridium)
SMILESCc1ccc(-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]
InChIInChI=1S/C17H18N3.C16H17N4.C16H15N2S.C13H11N2OS.4Ir/c1-12-7-5-8-13(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;;;;/h5-8,10-11H,1-4H3;5-7,9-10H,1-4H3;4-7,9-10H,1-3H3;3,5-8H,1-2H3;;;;/q4*-1;;;;
InChIKeySEFZOXJJNHMVPP-UHFFFAOYSA-N
XLogP14.15
TPSA107.17 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.25
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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;tetrakis(iridium) with MolForge

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Related Compounds

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
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

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;tetrakis(iridium)?
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;tetrakis(iridium) (CID 162111045) 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;tetrakis(iridium).
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;tetrakis(iridium)?
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;tetrakis(iridium) is 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].
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;tetrakis(iridium)?
The InChIKey is SEFZOXJJNHMVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N3.C16H17N4.C16H15N2S.C13H11N2OS.4Ir/c1-12-7-5-8-13(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;;;;/h5-8,10-11H,1-4H3;5-7,9-10H,1-4H3;4-7,9-10H,1-3H3;3,5-8H,1-2H3;;;;/q4*-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;tetrakis(iridium)?
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) has a molecular weight of 1809.25 g/mol, XLogP of 14.15, 8 rotatable bonds, 0 hydrogen bond donors, and 14 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;tetrakis(iridium) is sourced from PubChem (CID 162111045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).