tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane

C28H40PbSi2 — CID 177401963

IUPACtert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C1=C(c2ccccc2)C(c2ccccc2)=C([Si](C)(C)C(C)(C)C)[Pb]1
InChIInChI=1S/C28H40Si2.Pb/c1-27(2,3)29(7,8)21-25(23-17-13-11-14-18-23)26(24-19-15-12-16-20-24)22-30(9,10)28(4,5)6;/h11-20H,1-10H3;
InChIKeyRDNZIRVDNQZYJX-UHFFFAOYSA-N
MW640.00 g/mol
LogP8.62
Rot. Bonds4

About tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane

tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane (PubChem CID 177401963) has the molecular formula C28H40PbSi2 and a molecular weight of 640.00 g/mol. Its IUPAC name is tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane
PubChem CID177401963
Molecular FormulaC28H40PbSi2
Molecular Weight640.00 g/mol
Exact Mass640.24
IUPAC Nametert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C1=C(c2ccccc2)C(c2ccccc2)=C([Si](C)(C)C(C)(C)C)[Pb]1
InChIInChI=1S/C28H40Si2.Pb/c1-27(2,3)29(7,8)21-25(23-17-13-11-14-18-23)26(24-19-15-12-16-20-24)22-30(9,10)28(4,5)6;/h11-20H,1-10H3;
InChIKeyRDNZIRVDNQZYJX-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.00
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane (CID 177401963) is tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane is CC(C)(C)[Si](C)(C)C1=C(c2ccccc2)C(c2ccccc2)=C([Si](C)(C)C(C)(C)C)[Pb]1.
What is the InChIKey of tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane?
The InChIKey is RDNZIRVDNQZYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40Si2.Pb/c1-27(2,3)29(7,8)21-25(23-17-13-11-14-18-23)26(24-19-15-12-16-20-24)22-30(9,10)28(4,5)6;/h11-20H,1-10H3;.
What are the key properties of tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane?
tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane has a molecular weight of 640.00 g/mol, XLogP of 8.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane is sourced from PubChem (CID 177401963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).