iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C16H20IrNSi- — CID 154591890

IUPACiridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
SMILES[2H]C([2H])([2H])c1ccc[c-]c1-c1cc(C([2H])([2H])[2H])c([Si](C)(C)C)cn1.[Ir]
InChIInChI=1S/C16H20NSi.Ir/c1-12-8-6-7-9-14(12)15-10-13(2)16(11-17-15)18(3,4)5;/h6-8,10-11H,1-5H3;/q-1;/i1D3,2D3;
InChIKeyFCFDUOQJGNJXEG-TXHXQZCNSA-N
MW452.68 g/mol
LogP3.71
Rot. Bonds4

About iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 154591890) has the molecular formula C16H20IrNSi- and a molecular weight of 452.68 g/mol. Its IUPAC name is iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

Compound Nameiridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
PubChem CID154591890
Molecular FormulaC16H20IrNSi-
Molecular Weight452.68 g/mol
Exact Mass453.14
IUPAC Nameiridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
SMILES[2H]C([2H])([2H])c1ccc[c-]c1-c1cc(C([2H])([2H])[2H])c([Si](C)(C)C)cn1.[Ir]
InChIInChI=1S/C16H20NSi.Ir/c1-12-8-6-7-9-14(12)15-10-13(2)16(11-17-15)18(3,4)5;/h6-8,10-11H,1-5H3;/q-1;/i1D3,2D3;
InChIKeyFCFDUOQJGNJXEG-TXHXQZCNSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.68
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?
The IUPAC name of iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 154591890) is iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.
What is the SMILES notation for iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?
The canonical SMILES for iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is [2H]C([2H])([2H])c1ccc[c-]c1-c1cc(C([2H])([2H])[2H])c([Si](C)(C)C)cn1.[Ir].
What is the InChIKey of iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?
The InChIKey is FCFDUOQJGNJXEG-TXHXQZCNSA-N. The full InChI is InChI=1S/C16H20NSi.Ir/c1-12-8-6-7-9-14(12)15-10-13(2)16(11-17-15)18(3,4)5;/h6-8,10-11H,1-5H3;/q-1;/i1D3,2D3;.
What are the key properties of iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?
iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 452.68 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;trimethyl-[4-(trideuteriomethyl)-6-[2-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 154591890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).