tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane

C28H40N2SSi2 — CID 134865309

IUPACtert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)n1cc(Sc2cn([Si](C)(C)C(C)(C)C)c3ccccc23)c2ccccc21
InChIInChI=1S/C28H40N2SSi2/c1-27(2,3)32(7,8)29-19-25(21-15-11-13-17-23(21)29)31-26-20-30(33(9,10)28(4,5)6)24-18-14-12-16-22(24)26/h11-20H,1-10H3
InChIKeySUDPKCLWAHQYFJ-UHFFFAOYSA-N
MW492.88 g/mol
LogP9.45
Rot. Bonds4

About tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane

tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane (PubChem CID 134865309) has the molecular formula C28H40N2SSi2 and a molecular weight of 492.88 g/mol. Its IUPAC name is tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane
PubChem CID134865309
Molecular FormulaC28H40N2SSi2
Molecular Weight492.88 g/mol
Exact Mass492.25
IUPAC Nametert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)n1cc(Sc2cn([Si](C)(C)C(C)(C)C)c3ccccc23)c2ccccc21
InChIInChI=1S/C28H40N2SSi2/c1-27(2,3)32(7,8)29-19-25(21-15-11-13-17-23(21)29)31-26-20-30(33(9,10)28(4,5)6)24-18-14-12-16-22(24)26/h11-20H,1-10H3
InChIKeySUDPKCLWAHQYFJ-UHFFFAOYSA-N
XLogP9.45
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.88
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane (CID 134865309) is tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane is CC(C)(C)[Si](C)(C)n1cc(Sc2cn([Si](C)(C)C(C)(C)C)c3ccccc23)c2ccccc21.
What is the InChIKey of tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane?
The InChIKey is SUDPKCLWAHQYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2SSi2/c1-27(2,3)32(7,8)29-19-25(21-15-11-13-17-23(21)29)31-26-20-30(33(9,10)28(4,5)6)24-18-14-12-16-22(24)26/h11-20H,1-10H3.
What are the key properties of tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane?
tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane has a molecular weight of 492.88 g/mol, XLogP of 9.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane is sourced from PubChem (CID 134865309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).