tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane

C26H32PSi+ — CID 177417888

IUPACtert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C1C[P+](c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H32PSi/c1-26(2,3)28(4,5)25-20-27(21-14-8-6-9-15-21,22-16-10-7-11-17-22)24-19-13-12-18-23(24)25/h6-19,25H,20H2,1-5H3/q+1
InChIKeyIDSXTZWRGWXOGR-UHFFFAOYSA-N
MW403.60 g/mol
LogP6.13
Rot. Bonds3

About tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane

tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane (PubChem CID 177417888) has the molecular formula C26H32PSi+ and a molecular weight of 403.60 g/mol. Its IUPAC name is tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane
PubChem CID177417888
Molecular FormulaC26H32PSi+
Molecular Weight403.60 g/mol
Exact Mass403.20
IUPAC Nametert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C1C[P+](c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H32PSi/c1-26(2,3)28(4,5)25-20-27(21-14-8-6-9-15-21,22-16-10-7-11-17-22)24-19-13-12-18-23(24)25/h6-19,25H,20H2,1-5H3/q+1
InChIKeyIDSXTZWRGWXOGR-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.60
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,3-tetraphenyl-2H-1,3-benzodiphosphole-1,3-diium diiodide
CID 139150100
10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium
CID 88535368
CID 6365019
CID 6365019
1,1-diphenylethyl(trimethyl)silane
CID 553309
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
(1S,3R)-1-tert-butyl-3-phenyl-1,3-dihydro-2-benzofuran
CID 13213881
4-[tert-butyl(dimethyl)silyl]oxane-2,3,6-trione
CID 141298220
1-(oxiran-2-yl)-2-phenylpropan-2-ol
CID 11644018
7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)
CID 11986180
[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium
CID 101347825
(R)-[tert-butyl(dimethyl)silyl]-phenylmethanol
CID 101051972

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane (CID 177417888) is tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane is CC(C)(C)[Si](C)(C)C1C[P+](c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane?
The InChIKey is IDSXTZWRGWXOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32PSi/c1-26(2,3)28(4,5)25-20-27(21-14-8-6-9-15-21,22-16-10-7-11-17-22)24-19-13-12-18-23(24)25/h6-19,25H,20H2,1-5H3/q+1.
What are the key properties of tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane?
tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane has a molecular weight of 403.60 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,1-diphenyl-2,3-dihydrophosphindol-1-ium-3-yl)-dimethylsilane is sourced from PubChem (CID 177417888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).