tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane

C34H35ClSi2 — CID 101263165

IUPACtert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)[Si]1(Cl)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C34H35ClSi2/c1-34(2,3)36(4,5)37(35)32(28-22-14-8-15-23-28)30(26-18-10-6-11-19-26)31(27-20-12-7-13-21-27)33(37)29-24-16-9-17-25-29/h6-25H,1-5H3
InChIKeySZSJBOBHWIKBJS-UHFFFAOYSA-N
MW535.28 g/mol
LogP10.07
Rot. Bonds5

About tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane

tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane (PubChem CID 101263165) has the molecular formula C34H35ClSi2 and a molecular weight of 535.28 g/mol. Its IUPAC name is tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane
PubChem CID101263165
Molecular FormulaC34H35ClSi2
Molecular Weight535.28 g/mol
Exact Mass534.20
IUPAC Nametert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)[Si]1(Cl)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C34H35ClSi2/c1-34(2,3)36(4,5)37(35)32(28-22-14-8-15-23-28)30(26-18-10-6-11-19-26)31(27-20-12-7-13-21-27)33(37)29-24-16-9-17-25-29/h6-25H,1-5H3
InChIKeySZSJBOBHWIKBJS-UHFFFAOYSA-N
XLogP10.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.28
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
CID 12722878
1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 14661892
1,1-dimethyl-2,3,4,5-tetraphenylsilole
CID 139118741
tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane
CID 177401963
1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole
CID 13131416
[6-[1-tert-butyl-1,3,4-triphenyl-5-(6-trimethylsilyl-2-pyridinyl)silol-2-yl]-2-pyridinyl]-trimethylsilane
CID 18792371
ethyl-[(1-ethyl-2,3,4,5-tetraphenylsilol-1-yl)methyl]-dimethylsilane
CID 54515574
7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene
CID 122232420
4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline
CID 170897442
2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine
CID 18792351
tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane
CID 178070741
[tert-butyl(dimethyl)silyl]-diphenylmethanol
CID 102010999

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane (CID 101263165) is tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane is CC(C)(C)[Si](C)(C)[Si]1(Cl)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane?
The InChIKey is SZSJBOBHWIKBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClSi2/c1-34(2,3)36(4,5)37(35)32(28-22-14-8-15-23-28)30(26-18-10-6-11-19-26)31(27-20-12-7-13-21-27)33(37)29-24-16-9-17-25-29/h6-25H,1-5H3.
What are the key properties of tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane?
tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane has a molecular weight of 535.28 g/mol, XLogP of 10.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane is sourced from PubChem (CID 101263165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).