[8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane

C30H28Si2 — CID 122374553

IUPAC[8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane
SMILESC[Si](C)(C#Cc1ccccc1)c1cccc2cccc([Si](C)(C)C#Cc3ccccc3)c12
InChIInChI=1S/C30H28Si2/c1-31(2,23-21-25-13-7-5-8-14-25)28-19-11-17-27-18-12-20-29(30(27)28)32(3,4)24-22-26-15-9-6-10-16-26/h5-20H,1-4H3
InChIKeyNCRQQTUFKLYRDD-UHFFFAOYSA-N
MW444.73 g/mol
LogP5.85
Rot. Bonds2

About [8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane

[8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane (PubChem CID 122374553) has the molecular formula C30H28Si2 and a molecular weight of 444.73 g/mol. Its IUPAC name is [8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane.

Molecular Properties

Compound Name[8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane
PubChem CID122374553
Molecular FormulaC30H28Si2
Molecular Weight444.73 g/mol
Exact Mass444.17
IUPAC Name[8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane
SMILESC[Si](C)(C#Cc1ccccc1)c1cccc2cccc([Si](C)(C)C#Cc3ccccc3)c12
InChIInChI=1S/C30H28Si2/c1-31(2,23-21-25-13-7-5-8-14-25)28-19-11-17-27-18-12-20-29(30(27)28)32(3,4)24-22-26-15-9-6-10-16-26/h5-20H,1-4H3
InChIKeyNCRQQTUFKLYRDD-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.73
LogP ≤ 55.85
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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Frequently Asked Questions

What is the IUPAC name of [8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane?
The IUPAC name of [8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane (CID 122374553) is [8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane.
What is the SMILES notation for [8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane?
The canonical SMILES for [8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane is C[Si](C)(C#Cc1ccccc1)c1cccc2cccc([Si](C)(C)C#Cc3ccccc3)c12.
What is the InChIKey of [8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane?
The InChIKey is NCRQQTUFKLYRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Si2/c1-31(2,23-21-25-13-7-5-8-14-25)28-19-11-17-27-18-12-20-29(30(27)28)32(3,4)24-22-26-15-9-6-10-16-26/h5-20H,1-4H3.
What are the key properties of [8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane?
[8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane has a molecular weight of 444.73 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[dimethyl(2-phenylethynyl)silyl]naphthalen-1-yl]-dimethyl-(2-phenylethynyl)silane is sourced from PubChem (CID 122374553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).