2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane

C28H40Si2 — CID 169050031

IUPAC2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
SMILESCC(C)(C)c1cc2cc(C(C)(C)C)c(C#C[Si](C)(C)C)cc2cc1C#C[Si](C)(C)C
InChIInChI=1S/C28H40Si2/c1-27(2,3)25-19-24-20-26(28(4,5)6)22(14-16-30(10,11)12)18-23(24)17-21(25)13-15-29(7,8)9/h17-20H,1-12H3
InChIKeyMWBIQMHNGHNVIP-UHFFFAOYSA-N
MW432.80 g/mol
LogP7.89
Rot. Bonds

About 2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane

2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane (PubChem CID 169050031) has the molecular formula C28H40Si2 and a molecular weight of 432.80 g/mol. Its IUPAC name is 2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
PubChem CID169050031
Molecular FormulaC28H40Si2
Molecular Weight432.80 g/mol
Exact Mass432.27
IUPAC Name2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
SMILESCC(C)(C)c1cc2cc(C(C)(C)C)c(C#C[Si](C)(C)C)cc2cc1C#C[Si](C)(C)C
InChIInChI=1S/C28H40Si2/c1-27(2,3)25-19-24-20-26(28(4,5)6)22(14-16-30(10,11)12)18-23(24)17-21(25)13-15-29(7,8)9/h17-20H,1-12H3
InChIKeyMWBIQMHNGHNVIP-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.80
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
CID 90751559
2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050071
2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 102134851
2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane
CID 102078481
2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 5249685
trimethyl(2-pentacen-1-ylethynyl)silane
CID 141150264
2-bromo-4-tert-butyl-5-nitroaniline;4-tert-butyl-5-nitro-2-(2-trimethylsilylethynyl)aniline
CID 160826960
trimethyl-[2-(11,20,25,34,39-pentatert-butyl-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4(41),5,7,9(14),10,12,15,17,19,21,23,25,27,29,31(36),32,34,37,39-henicosaenyl)ethynyl]silane
CID 45277154
5,6-dimethyl-3-(2-trimethylsilylethynyl)pyridin-2-amine
CID 59747902
2-[3-amino-7-fluoro-6-(2-trimethylsilylethynyl)quinolin-2-yl]propan-2-ol
CID 178068396
2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline
CID 10752383
[1]benzothiolo[5,6-f][1]benzothiole;2-[3,6-dibromo-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane;methane
CID 158624840

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane (CID 169050031) is 2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane is CC(C)(C)c1cc2cc(C(C)(C)C)c(C#C[Si](C)(C)C)cc2cc1C#C[Si](C)(C)C.
What is the InChIKey of 2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane?
The InChIKey is MWBIQMHNGHNVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40Si2/c1-27(2,3)25-19-24-20-26(28(4,5)6)22(14-16-30(10,11)12)18-23(24)17-21(25)13-15-29(7,8)9/h17-20H,1-12H3.
What are the key properties of 2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane?
2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane has a molecular weight of 432.80 g/mol, XLogP of 7.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 169050031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).