[2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium

C20H18IrNOSi- — CID 155619347

IUPAC[2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium
SMILESC[Si](C)(C)c1ccc[c-]c1-c1nccc2oc3ccccc3c12.[Ir]
InChIInChI=1S/C20H18NOSi.Ir/c1-23(2,3)18-11-7-5-9-15(18)20-19-14-8-4-6-10-16(14)22-17(19)12-13-21-20;/h4-8,10-13H,1-3H3;/q-1;
InChIKeyLJVQWSQMBHUNQR-UHFFFAOYSA-N
MW508.67 g/mol
LogP4.99
Rot. Bonds2

About [2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium

[2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium (PubChem CID 155619347) has the molecular formula C20H18IrNOSi- and a molecular weight of 508.67 g/mol. Its IUPAC name is [2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium.

Molecular Properties

Compound Name[2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium
PubChem CID155619347
Molecular FormulaC20H18IrNOSi-
Molecular Weight508.67 g/mol
Exact Mass509.08
IUPAC Name[2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium
SMILESC[Si](C)(C)c1ccc[c-]c1-c1nccc2oc3ccccc3c12.[Ir]
InChIInChI=1S/C20H18NOSi.Ir/c1-23(2,3)18-11-7-5-9-15(18)20-19-14-8-4-6-10-16(14)22-17(19)12-13-21-20;/h4-8,10-13H,1-3H3;/q-1;
InChIKeyLJVQWSQMBHUNQR-UHFFFAOYSA-N
XLogP4.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.67
LogP ≤ 54.99
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

CID 162189672
CID 162189672
4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
CID 164796971
[2-([1]benzofuro[3,2-c]pyridin-3-yl)benzene-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine
CID 155619309
1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
CID 168746413
(Z)-but-2-enedioic acid;1-phenyl-[1]benzofuro[3,2-c]pyridine
CID 70413487
[2-([1]benzofuro[3,2-c]pyridin-3-yl)benzene-3-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 155619239
[4-(4-tert-butyl-3-methyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
CID 164797037
iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane
CID 155619291
iridium;4-methyl-2-phenylpyridine;trimethyl-[4-[3-methyl-4-(3-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796811
2-(2-trimethylsilylphenyl)dibenzofuran-1-amine
CID 174895023
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
CID 165170371
CID 165170371

Frequently Asked Questions

What is the IUPAC name of [2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium?
The IUPAC name of [2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium (CID 155619347) is [2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium.
What is the SMILES notation for [2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium?
The canonical SMILES for [2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium is C[Si](C)(C)c1ccc[c-]c1-c1nccc2oc3ccccc3c12.[Ir].
What is the InChIKey of [2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium?
The InChIKey is LJVQWSQMBHUNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NOSi.Ir/c1-23(2,3)18-11-7-5-9-15(18)20-19-14-8-4-6-10-16(14)22-17(19)12-13-21-20;/h4-8,10-13H,1-3H3;/q-1;.
What are the key properties of [2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium?
[2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium has a molecular weight of 508.67 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium is sourced from PubChem (CID 155619347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).