5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium

C13H12IrNSi- — CID 59661557

IUPAC5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium
SMILESC[Si]1(C)c2ccc[c-]c2-c2ncccc21.[Ir]
InChIInChI=1S/C13H12NSi.Ir/c1-15(2)11-7-4-3-6-10(11)13-12(15)8-5-9-14-13;/h3-5,7-9H,1-2H3;/q-1;
InChIKeySJPYWOUQJXVSNZ-UHFFFAOYSA-N
MW402.55 g/mol
LogP1.68
Rot. Bonds

About 5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium

5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium (PubChem CID 59661557) has the molecular formula C13H12IrNSi- and a molecular weight of 402.55 g/mol. Its IUPAC name is 5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium.

Molecular Properties

Compound Name5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium
PubChem CID59661557
Molecular FormulaC13H12IrNSi-
Molecular Weight402.55 g/mol
Exact Mass403.04
IUPAC Name5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium
SMILESC[Si]1(C)c2ccc[c-]c2-c2ncccc21.[Ir]
InChIInChI=1S/C13H12NSi.Ir/c1-15(2)11-7-4-3-6-10(11)13-12(15)8-5-9-14-13;/h3-5,7-9H,1-2H3;/q-1;
InChIKeySJPYWOUQJXVSNZ-UHFFFAOYSA-N
XLogP1.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 51.68
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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Related Compounds

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bis(5,6-dimethyl-6,10-dihydrobenzo[c][1,5]naphthyridin-10-ide);iridium;pyridine-2-carboxylic acid
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2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine
CID 153423280
2-(2-fluorobenzene-6-id-1-yl)pyridine;iridium
CID 21044153
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
CID 58401833
CID 158700467
CID 158700467

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium?
The IUPAC name of 5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium (CID 59661557) is 5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium.
What is the SMILES notation for 5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium?
The canonical SMILES for 5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium is C[Si]1(C)c2ccc[c-]c2-c2ncccc21.[Ir].
What is the InChIKey of 5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium?
The InChIKey is SJPYWOUQJXVSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NSi.Ir/c1-15(2)11-7-4-3-6-10(11)13-12(15)8-5-9-14-13;/h3-5,7-9H,1-2H3;/q-1;.
What are the key properties of 5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium?
5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium has a molecular weight of 402.55 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium is sourced from PubChem (CID 59661557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).