trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane

C21H24N2Si — CID 141180377

IUPACtrimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane
SMILESCC(C)n1cc(-c2ccc(C#C[Si](C)(C)C)cn2)c2ccccc21
InChIInChI=1S/C21H24N2Si/c1-16(2)23-15-19(18-8-6-7-9-21(18)23)20-11-10-17(14-22-20)12-13-24(3,4)5/h6-11,14-16H,1-5H3
InChIKeyJHCPFAQYHKAZKL-UHFFFAOYSA-N
MW332.52 g/mol
LogP5.51
Rot. Bonds2

About trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane

trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane (PubChem CID 141180377) has the molecular formula C21H24N2Si and a molecular weight of 332.52 g/mol. Its IUPAC name is trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane
PubChem CID141180377
Molecular FormulaC21H24N2Si
Molecular Weight332.52 g/mol
Exact Mass332.17
IUPAC Nametrimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane
SMILESCC(C)n1cc(-c2ccc(C#C[Si](C)(C)C)cn2)c2ccccc21
InChIInChI=1S/C21H24N2Si/c1-16(2)23-15-19(18-8-6-7-9-21(18)23)20-11-10-17(14-22-20)12-13-24(3,4)5/h6-11,14-16H,1-5H3
InChIKeyJHCPFAQYHKAZKL-UHFFFAOYSA-N
XLogP5.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.52
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane (CID 141180377) is trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane is CC(C)n1cc(-c2ccc(C#C[Si](C)(C)C)cn2)c2ccccc21.
What is the InChIKey of trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane?
The InChIKey is JHCPFAQYHKAZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2Si/c1-16(2)23-15-19(18-8-6-7-9-21(18)23)20-11-10-17(14-22-20)12-13-24(3,4)5/h6-11,14-16H,1-5H3.
What are the key properties of trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane?
trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane has a molecular weight of 332.52 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane is sourced from PubChem (CID 141180377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).