[6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

C20H28IrNSi- — CID 154591913

IUPAC[6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
SMILESCc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c(C)c1.[Ir]
InChIInChI=1S/C20H28NSi.Ir/c1-14(2)10-17-12-19(21-13-20(17)22(5,6)7)18-9-8-15(3)11-16(18)4;/h8,11-14H,10H2,1-7H3;/q-1;
InChIKeyYKHFVAQIXKIDCT-UHFFFAOYSA-N
MW502.75 g/mol
LogP4.91
Rot. Bonds4

About [6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

[6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 154591913) has the molecular formula C20H28IrNSi- and a molecular weight of 502.75 g/mol. Its IUPAC name is [6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name[6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
PubChem CID154591913
Molecular FormulaC20H28IrNSi-
Molecular Weight502.75 g/mol
Exact Mass503.16
IUPAC Name[6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
SMILESCc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c(C)c1.[Ir]
InChIInChI=1S/C20H28NSi.Ir/c1-14(2)10-17-12-19(21-13-20(17)22(5,6)7)18-9-8-15(3)11-16(18)4;/h8,11-14H,10H2,1-7H3;/q-1;
InChIKeyYKHFVAQIXKIDCT-UHFFFAOYSA-N
XLogP4.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.75
LogP ≤ 54.91
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

iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 162707114
iridium;2-(4-methylbenzene-6-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 162709019
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 156686699
[6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 140774572
[6-(2-fluorophenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 154591931
iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane
CID 158744529
8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 164712092
2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164712028
iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611614
4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 164711889
2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670634
iridium;2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611681

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of [6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (CID 154591913) is [6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for [6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for [6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c(C)c1.[Ir].
What is the InChIKey of [6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is YKHFVAQIXKIDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NSi.Ir/c1-14(2)10-17-12-19(21-13-20(17)22(5,6)7)18-9-8-15(3)11-16(18)4;/h8,11-14H,10H2,1-7H3;/q-1;.
What are the key properties of [6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
[6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 502.75 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 154591913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).