iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane

C33H30IrN2OSi-2 — CID 155608842

IUPACiridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane
SMILESCc1ccnc(-c2[c-]ccc3c2oc2ccc([Si](C)(C)C)cc23)c1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C21H20NOSi.C12H10N.Ir/c1-14-10-11-22-19(12-14)17-7-5-6-16-18-13-15(24(2,3)4)8-9-20(18)23-21(16)17;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h5-6,8-13H,1-4H3;2-5,7-9H,1H3;/q2*-1;/i;1D3;
InChIKeyJRLZOVROBLSGQQ-ICMJTWPQSA-N
MW693.94 g/mol
LogP8.16
Rot. Bonds4

About iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane

iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane (PubChem CID 155608842) has the molecular formula C33H30IrN2OSi-2 and a molecular weight of 693.94 g/mol. Its IUPAC name is iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane.

Molecular Properties

Compound Nameiridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane
PubChem CID155608842
Molecular FormulaC33H30IrN2OSi-2
Molecular Weight693.94 g/mol
Exact Mass694.20
IUPAC Nameiridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane
SMILESCc1ccnc(-c2[c-]ccc3c2oc2ccc([Si](C)(C)C)cc23)c1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C21H20NOSi.C12H10N.Ir/c1-14-10-11-22-19(12-14)17-7-5-6-16-18-13-15(24(2,3)4)8-9-20(18)23-21(16)17;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h5-6,8-13H,1-4H3;2-5,7-9H,1H3;/q2*-1;/i;1D3;
InChIKeyJRLZOVROBLSGQQ-ICMJTWPQSA-N
XLogP8.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.94
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 155608985
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 155608840
CID 177109827
CID 177109827
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-phenylpropan-2-yl)pyridine;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 162708497
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-phenyl-5-propan-2-ylpyridine
CID 164798098
tris(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158275223
[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
CID 155608882
CID 166044115
CID 166044115
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
iridium;2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-2-yl]silane
CID 155608999
iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578500
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-1-yl]silane
CID 155608578

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane?
The IUPAC name of iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane (CID 155608842) is iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane.
What is the SMILES notation for iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane?
The canonical SMILES for iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane is Cc1ccnc(-c2[c-]ccc3c2oc2ccc([Si](C)(C)C)cc23)c1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane?
The InChIKey is JRLZOVROBLSGQQ-ICMJTWPQSA-N. The full InChI is InChI=1S/C21H20NOSi.C12H10N.Ir/c1-14-10-11-22-19(12-14)17-7-5-6-16-18-13-15(24(2,3)4)8-9-20(18)23-21(16)17;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h5-6,8-13H,1-4H3;2-5,7-9H,1H3;/q2*-1;/i;1D3;.
What are the key properties of iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane?
iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane has a molecular weight of 693.94 g/mol, XLogP of 8.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]silane is sourced from PubChem (CID 155608842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).