iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane

C45H46IrNOSi2 — CID 176593319

IUPACiridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)[c-]cc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc1.[Ir+3]
InChIInChI=1S/C26H22NOSi.C19H24Si.Ir/c1-29(2,3)20-13-15-24(27-17-20)23-11-7-10-22-21-14-12-19(16-25(21)28-26(22)23)18-8-5-4-6-9-18;1-15(2)13-18-14-17(16-9-7-6-8-10-16)11-12-19(18)20(3,4)5;/h4-10,12-17H,1-3H3;6-9,12,14-15H,13H2,1-5H3;/q-1;-2;+3
InChIKeyGOEUPZAYHFMUNT-UHFFFAOYSA-N
MW865.26 g/mol
LogP11.36
Rot. Bonds7

About iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane

iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane (PubChem CID 176593319) has the molecular formula C45H46IrNOSi2 and a molecular weight of 865.26 g/mol. Its IUPAC name is iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Nameiridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane
PubChem CID176593319
Molecular FormulaC45H46IrNOSi2
Molecular Weight865.26 g/mol
Exact Mass865.27
IUPAC Nameiridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)[c-]cc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc1.[Ir+3]
InChIInChI=1S/C26H22NOSi.C19H24Si.Ir/c1-29(2,3)20-13-15-24(27-17-20)23-11-7-10-22-21-14-12-19(16-25(21)28-26(22)23)18-8-5-4-6-9-18;1-15(2)13-18-14-17(16-9-7-6-8-10-16)11-12-19(18)20(3,4)5;/h4-10,12-17H,1-3H3;6-9,12,14-15H,13H2,1-5H3;/q-1;-2;+3
InChIKeyGOEUPZAYHFMUNT-UHFFFAOYSA-N
XLogP11.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.26
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162498233
2-[7-(3-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166575327
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156657888
iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166575688
4-(1,1-dideuterio-2-methylpropyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166575258
iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578500
4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 166576736
2-[7-(4-tert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575719
[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine
CID 166576810
2-(7-benzyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708739
4-[3-[1-deuterio-1-(4-phenylphenyl)ethyl]benzene-6-id-1-yl]-3H-dibenzofuran-3-ide;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708820
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine
CID 166578833

Frequently Asked Questions

What is the IUPAC name of iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane?
The IUPAC name of iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane (CID 176593319) is iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane.
What is the SMILES notation for iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane?
The canonical SMILES for iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)[c-]cc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc1.[Ir+3].
What is the InChIKey of iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane?
The InChIKey is GOEUPZAYHFMUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NOSi.C19H24Si.Ir/c1-29(2,3)20-13-15-24(27-17-20)23-11-7-10-22-21-14-12-19(16-25(21)28-26(22)23)18-8-5-4-6-9-18;1-15(2)13-18-14-17(16-9-7-6-8-10-16)11-12-19(18)20(3,4)5;/h4-10,12-17H,1-3H3;6-9,12,14-15H,13H2,1-5H3;/q-1;-2;+3.
What are the key properties of iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane?
iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane has a molecular weight of 865.26 g/mol, XLogP of 11.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);trimethyl-[2-(2-methylpropyl)-4-phenylbenzene-5-id-1-yl]silane;trimethyl-[6-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]silane is sourced from PubChem (CID 176593319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).