iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane

C32H29IrN3OSi-2 — CID 164797050

IUPACiridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane
SMILESCc1ccc(-c2[c-]cc([Si](C)(C)C)c3c2oc2ccncc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C20H19N2OSi.C12H10N.Ir/c1-13-5-7-16(22-11-13)14-6-8-18(24(2,3)4)19-15-12-21-10-9-17(15)23-20(14)19;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h5,7-12H,1-4H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyCEGDHWKJXTVUMU-UHFFFAOYSA-N
MW691.91 g/mol
LogP7.55
Rot. Bonds3

About iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane

iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane (PubChem CID 164797050) has the molecular formula C32H29IrN3OSi-2 and a molecular weight of 691.91 g/mol. Its IUPAC name is iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane.

Molecular Properties

Compound Nameiridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane
PubChem CID164797050
Molecular FormulaC32H29IrN3OSi-2
Molecular Weight691.91 g/mol
Exact Mass692.17
IUPAC Nameiridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane
SMILESCc1ccc(-c2[c-]cc([Si](C)(C)C)c3c2oc2ccncc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C20H19N2OSi.C12H10N.Ir/c1-13-5-7-16(22-11-13)14-6-8-18(24(2,3)4)19-15-12-21-10-9-17(15)23-20(14)19;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h5,7-12H,1-4H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyCEGDHWKJXTVUMU-UHFFFAOYSA-N
XLogP7.55
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.91
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
CID 155608383
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[3,2-b]pyridin-7-id-9-yl]silane
CID 164796943
[4-(4-tert-butyl-3-methyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
CID 164797037
iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[3-methyl-4-(2-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796844
iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796923
iridium;5-methyl-2-phenylpyridine;trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane
CID 155608926
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane
CID 155608578
iridium;2-phenyl-5-propan-2-ylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]silane
CID 155608708
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane
CID 164796738
4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
CID 164796971
iridium;4-methyl-2-phenylpyridine;trimethyl-[4-[4-methyl-5-(2-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796884

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane?
The IUPAC name of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane (CID 164797050) is iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane.
What is the SMILES notation for iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane?
The canonical SMILES for iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane is Cc1ccc(-c2[c-]cc([Si](C)(C)C)c3c2oc2ccncc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane?
The InChIKey is CEGDHWKJXTVUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N2OSi.C12H10N.Ir/c1-13-5-7-16(22-11-13)14-6-8-18(24(2,3)4)19-15-12-21-10-9-17(15)23-20(14)19;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h5,7-12H,1-4H3;2-5,7-9H,1H3;/q2*-1;.
What are the key properties of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane?
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane has a molecular weight of 691.91 g/mol, XLogP of 7.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane is sourced from PubChem (CID 164797050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).