4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C48H50IrN4OSi-2 — CID 156671229

IUPAC4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3)[c-]ncc12.[Ir]
InChIInChI=1S/C29H24N3O.C19H26NSi.Ir/c1-18-9-14-21-22-16-30-17-23(27(22)33-26(21)15-18)28-31-24-7-5-6-8-25(24)32(28)20-12-10-19(11-13-20)29(2,3)4;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h5-16H,1-4H3;7-10,12,14H,13H2,1-6H3;/q2*-1;
InChIKeyWAOMJSXGYZOHRW-UHFFFAOYSA-N
MW919.26 g/mol
LogP12.07
Rot. Bonds5

About 4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156671229) has the molecular formula C48H50IrN4OSi-2 and a molecular weight of 919.26 g/mol. Its IUPAC name is 4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
PubChem CID156671229
Molecular FormulaC48H50IrN4OSi-2
Molecular Weight919.26 g/mol
Exact Mass919.34
IUPAC Name4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3)[c-]ncc12.[Ir]
InChIInChI=1S/C29H24N3O.C19H26NSi.Ir/c1-18-9-14-21-22-16-30-17-23(27(22)33-26(21)15-18)28-31-24-7-5-6-8-25(24)32(28)20-12-10-19(11-13-20)29(2,3)4;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h5-16H,1-4H3;7-10,12,14H,13H2,1-6H3;/q2*-1;
InChIKeyWAOMJSXGYZOHRW-UHFFFAOYSA-N
XLogP12.07
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.26
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium with MolForge

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Related Compounds

1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156657115
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 156657174
1-(4-tert-butyl-2-phenylphenyl)-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 176593390
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 156658176
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
CID 156659955
2-tert-butyl-8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667742
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 156659104
1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzofuran-4-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,5-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium)
CID 163715680
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156669962
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156658523
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane)
CID 158372535
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzofuran-4-ylbenzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 162776775

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of 4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 156671229) is 4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for 4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for 4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3)[c-]ncc12.[Ir].
What is the InChIKey of 4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is WAOMJSXGYZOHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N3O.C19H26NSi.Ir/c1-18-9-14-21-22-16-30-17-23(27(22)33-26(21)15-18)28-31-24-7-5-6-8-25(24)32(28)20-12-10-19(11-13-20)29(2,3)4;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h5-16H,1-4H3;7-10,12,14H,13H2,1-6H3;/q2*-1;.
What are the key properties of 4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 919.26 g/mol, XLogP of 12.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-7-methyl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156671229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).