chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane

C27H23ClSi — CID 57186607

IUPACchloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
SMILESCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Si](C)(Cl)c1ccccc1
InChIInChI=1S/C27H23ClSi/c1-19-18-26-24(23-15-8-11-20-10-6-7-14-22(20)23)16-9-17-25(26)27(19)29(2,28)21-12-4-3-5-13-21/h3-18,27H,1-2H3
InChIKeyUBVGLLGMMBTEBH-UHFFFAOYSA-N
MW411.02 g/mol
LogP7.27
Rot. Bonds3

About chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane

chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane (PubChem CID 57186607) has the molecular formula C27H23ClSi and a molecular weight of 411.02 g/mol. Its IUPAC name is chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane.

Molecular Properties

Compound Namechloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
PubChem CID57186607
Molecular FormulaC27H23ClSi
Molecular Weight411.02 g/mol
Exact Mass410.13
IUPAC Namechloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
SMILESCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Si](C)(Cl)c1ccccc1
InChIInChI=1S/C27H23ClSi/c1-19-18-26-24(23-15-8-11-20-10-6-7-14-22(20)23)16-9-17-25(26)27(19)29(2,28)21-12-4-3-5-13-21/h3-18,27H,1-2H3
InChIKeyUBVGLLGMMBTEBH-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.02
LogP ≤ 57.27
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'}

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Frequently Asked Questions

What is the IUPAC name of chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane?
The IUPAC name of chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane (CID 57186607) is chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane.
What is the SMILES notation for chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane?
The canonical SMILES for chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane is CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Si](C)(Cl)c1ccccc1.
What is the InChIKey of chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane?
The InChIKey is UBVGLLGMMBTEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClSi/c1-19-18-26-24(23-15-8-11-20-10-6-7-14-22(20)23)16-9-17-25(26)27(19)29(2,28)21-12-4-3-5-13-21/h3-18,27H,1-2H3.
What are the key properties of chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane?
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane has a molecular weight of 411.02 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane is sourced from PubChem (CID 57186607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).