bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane

C26H40N4Si3 — CID 10529186

IUPACbis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane
SMILESCn1cccc1[Si](C)(C)c1ccc([Si](C)(C)c2ccc([Si](C)(C)c3cccn3C)n2C)n1C
InChIInChI=1S/C26H40N4Si3/c1-27-19-11-13-21(27)31(5,6)23-15-17-25(29(23)3)33(9,10)26-18-16-24(30(26)4)32(7,8)22-14-12-20-28(22)2/h11-20H,1-10H3
InChIKeyNMDKDZJXETVEPU-UHFFFAOYSA-N
MW492.89 g/mol
LogP1.51
Rot. Bonds6

About bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane

bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane (PubChem CID 10529186) has the molecular formula C26H40N4Si3 and a molecular weight of 492.89 g/mol. Its IUPAC name is bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane
PubChem CID10529186
Molecular FormulaC26H40N4Si3
Molecular Weight492.89 g/mol
Exact Mass492.26
IUPAC Namebis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane
SMILESCn1cccc1[Si](C)(C)c1ccc([Si](C)(C)c2ccc([Si](C)(C)c3cccn3C)n2C)n1C
InChIInChI=1S/C26H40N4Si3/c1-27-19-11-13-21(27)31(5,6)23-15-17-25(29(23)3)33(9,10)26-18-16-24(30(26)4)32(7,8)22-14-12-20-28(22)2/h11-20H,1-10H3
InChIKeyNMDKDZJXETVEPU-UHFFFAOYSA-N
XLogP1.51
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.89
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane?
The IUPAC name of bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane (CID 10529186) is bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane.
What is the SMILES notation for bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane?
The canonical SMILES for bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane is Cn1cccc1[Si](C)(C)c1ccc([Si](C)(C)c2ccc([Si](C)(C)c3cccn3C)n2C)n1C.
What is the InChIKey of bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane?
The InChIKey is NMDKDZJXETVEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4Si3/c1-27-19-11-13-21(27)31(5,6)23-15-17-25(29(23)3)33(9,10)26-18-16-24(30(26)4)32(7,8)22-14-12-20-28(22)2/h11-20H,1-10H3.
What are the key properties of bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane?
bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane has a molecular weight of 492.89 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane is sourced from PubChem (CID 10529186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).