[3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane

C20H44FN5Si6 — CID 15784247

IUPAC[3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane
SMILESC[Si](C)(F)N1[Si](C)(C)N([Si](C)(C)n2cccc2)[Si](C)(C)N([Si](C)(C)n2cccc2)[Si]1(C)C
InChIInChI=1S/C20H44FN5Si6/c1-27(2,21)24-30(7,8)25(28(3,4)22-17-13-14-18-22)32(11,12)26(31(24,9)10)29(5,6)23-19-15-16-20-23/h13-20H,1-12H3
InChIKeyJKXLTLXWIPBQAL-UHFFFAOYSA-N
MW542.12 g/mol
LogP5.79
Rot. Bonds5

About [3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane

[3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane (PubChem CID 15784247) has the molecular formula C20H44FN5Si6 and a molecular weight of 542.12 g/mol. Its IUPAC name is [3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane.

Molecular Properties

Compound Name[3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane
PubChem CID15784247
Molecular FormulaC20H44FN5Si6
Molecular Weight542.12 g/mol
Exact Mass541.22
IUPAC Name[3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane
SMILESC[Si](C)(F)N1[Si](C)(C)N([Si](C)(C)n2cccc2)[Si](C)(C)N([Si](C)(C)n2cccc2)[Si]1(C)C
InChIInChI=1S/C20H44FN5Si6/c1-27(2,21)24-30(7,8)25(28(3,4)22-17-13-14-18-22)32(11,12)26(31(24,9)10)29(5,6)23-19-15-16-20-23/h13-20H,1-12H3
InChIKeyJKXLTLXWIPBQAL-UHFFFAOYSA-N
XLogP5.79
TPSA19.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.12
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane?
The IUPAC name of [3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane (CID 15784247) is [3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane.
What is the SMILES notation for [3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane?
The canonical SMILES for [3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane is C[Si](C)(F)N1[Si](C)(C)N([Si](C)(C)n2cccc2)[Si](C)(C)N([Si](C)(C)n2cccc2)[Si]1(C)C.
What is the InChIKey of [3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane?
The InChIKey is JKXLTLXWIPBQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44FN5Si6/c1-27(2,21)24-30(7,8)25(28(3,4)22-17-13-14-18-22)32(11,12)26(31(24,9)10)29(5,6)23-19-15-16-20-23/h13-20H,1-12H3.
What are the key properties of [3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane?
[3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane has a molecular weight of 542.12 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[dimethyl(pyrrol-1-yl)silyl]-2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinan-1-yl]-fluoro-dimethylsilane is sourced from PubChem (CID 15784247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).