1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine)

C130H136Ir5N16OS-10 — CID 158469530

IUPAC1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine)
SMILESCC.CC.CC.CC.CC.CN1C=CN(C2=[C-]c3ccccc3C2(C)C)C1.CN1C=CN(C2=[C-]c3ccccc3C2)C1.CN1C=CN(c2[c-]c3ccccc3n2C)C1.CN1C=CN(c2[c-]c3ccccc3o2)C1.CN1C=CN(c2[c-]c3ccccc3s2)C1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C15H17N2.C13H14N3.C13H13N2.C12H11N2O.C12H11N2S.5C11H8N.5C2H6.5Ir/c1-15(2)13-7-5-4-6-12(13)10-14(15)17-9-8-16(3)11-17;1-14-7-8-16(10-14)13-9-11-5-3-4-6-12(11)15(13)2;1-14-6-7-15(10-14)13-8-11-4-2-3-5-12(11)9-13;2*1-13-6-7-14(9-13)12-8-10-4-2-3-5-11(10)15-12;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;5*1-2;;;;;/h4-9H,11H2,1-3H3;3-8H,10H2,1-2H3;2-7H,8,10H2,1H3;2*2-7H,9H2,1H3;5*1-6,8-9H;5*1-2H3;;;;;/q10*-1;;;;;;;;;;
InChIKeyMYTOEAGIHVAGJJ-UHFFFAOYSA-N
MW2931.78 g/mol
LogP29.96
Rot. Bonds10

About 1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine)

1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine) (PubChem CID 158469530) has the molecular formula C130H136Ir5N16OS-10 and a molecular weight of 2931.78 g/mol. Its IUPAC name is 1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine).

Molecular Properties

Compound Name1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine)
PubChem CID158469530
Molecular FormulaC130H136Ir5N16OS-10
Molecular Weight2931.78 g/mol
Exact Mass2933.90
IUPAC Name1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine)
SMILESCC.CC.CC.CC.CC.CN1C=CN(C2=[C-]c3ccccc3C2(C)C)C1.CN1C=CN(C2=[C-]c3ccccc3C2)C1.CN1C=CN(c2[c-]c3ccccc3n2C)C1.CN1C=CN(c2[c-]c3ccccc3o2)C1.CN1C=CN(c2[c-]c3ccccc3s2)C1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C15H17N2.C13H14N3.C13H13N2.C12H11N2O.C12H11N2S.5C11H8N.5C2H6.5Ir/c1-15(2)13-7-5-4-6-12(13)10-14(15)17-9-8-16(3)11-17;1-14-7-8-16(10-14)13-9-11-5-3-4-6-12(11)15(13)2;1-14-6-7-15(10-14)13-8-11-4-2-3-5-12(11)9-13;2*1-13-6-7-14(9-13)12-8-10-4-2-3-5-11(10)15-12;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;5*1-2;;;;;/h4-9H,11H2,1-3H3;3-8H,10H2,1-2H3;2-7H,8,10H2,1H3;2*2-7H,9H2,1H3;5*1-6,8-9H;5*1-2H3;;;;;/q10*-1;;;;;;;;;;
InChIKeyMYTOEAGIHVAGJJ-UHFFFAOYSA-N
XLogP29.96
TPSA114.92 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.78
LogP ≤ 529.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine)?
The IUPAC name of 1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine) (CID 158469530) is 1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine).
What is the SMILES notation for 1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine)?
The canonical SMILES for 1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine) is CC.CC.CC.CC.CC.CN1C=CN(C2=[C-]c3ccccc3C2(C)C)C1.CN1C=CN(C2=[C-]c3ccccc3C2)C1.CN1C=CN(c2[c-]c3ccccc3n2C)C1.CN1C=CN(c2[c-]c3ccccc3o2)C1.CN1C=CN(c2[c-]c3ccccc3s2)C1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine)?
The InChIKey is MYTOEAGIHVAGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2.C13H14N3.C13H13N2.C12H11N2O.C12H11N2S.5C11H8N.5C2H6.5Ir/c1-15(2)13-7-5-4-6-12(13)10-14(15)17-9-8-16(3)11-17;1-14-7-8-16(10-14)13-9-11-5-3-4-6-12(11)15(13)2;1-14-6-7-15(10-14)13-8-11-4-2-3-5-12(11)9-13;2*1-13-6-7-14(9-13)12-8-10-4-2-3-5-11(10)15-12;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;5*1-2;;;;;/h4-9H,11H2,1-3H3;3-8H,10H2,1-2H3;2-7H,8,10H2,1H3;2*2-7H,9H2,1H3;5*1-6,8-9H;5*1-2H3;;;;;/q10*-1;;;;;;;;;;.
What are the key properties of 1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine)?
1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine) has a molecular weight of 2931.78 g/mol, XLogP of 29.96, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-1-benzofuran-3-id-2-yl)-3-methyl-2H-imidazole;1-(3H-1-benzothiophen-3-id-2-yl)-3-methyl-2H-imidazole;1-(1,3-dihydroinden-3-id-2-yl)-3-methyl-2H-imidazole;1-(3,3-dimethyl-1H-inden-1-id-2-yl)-3-methyl-2H-imidazole;ethane;pentakis(iridium);1-methyl-2-(3-methyl-2H-imidazol-1-yl)-3H-indol-3-ide;pentakis(2-phenylpyridine) is sourced from PubChem (CID 158469530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).