bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane

C38H40O2Si3 — CID 102005003

IUPACbis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane
SMILESC[Si](C)(CC[Si](O)(c1ccccc1)c1cccc2ccccc12)CC[Si](O)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C38H40O2Si3/c1-41(2,27-29-42(39,33-19-5-3-6-20-33)37-25-13-17-31-15-9-11-23-35(31)37)28-30-43(40,34-21-7-4-8-22-34)38-26-14-18-32-16-10-12-24-36(32)38/h3-26,39-40H,27-30H2,1-2H3
InChIKeyVQUWVXCHBBBLFK-UHFFFAOYSA-N
MW612.99 g/mol
LogP6.51
Rot. Bonds10

About bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane

bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane (PubChem CID 102005003) has the molecular formula C38H40O2Si3 and a molecular weight of 612.99 g/mol. Its IUPAC name is bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane.

Molecular Properties

Compound Namebis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane
PubChem CID102005003
Molecular FormulaC38H40O2Si3
Molecular Weight612.99 g/mol
Exact Mass612.23
IUPAC Namebis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane
SMILESC[Si](C)(CC[Si](O)(c1ccccc1)c1cccc2ccccc12)CC[Si](O)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C38H40O2Si3/c1-41(2,27-29-42(39,33-19-5-3-6-20-33)37-25-13-17-31-15-9-11-23-35(31)37)28-30-43(40,34-21-7-4-8-22-34)38-26-14-18-32-16-10-12-24-36(32)38/h3-26,39-40H,27-30H2,1-2H3
InChIKeyVQUWVXCHBBBLFK-UHFFFAOYSA-N
XLogP6.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.99
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane
CID 101072929
chloro-methyl-dinaphthalen-1-ylsilane
CID 140861802
methyl-[(2-methylpropan-2-yl)oxy]-naphthalen-1-yl-phenylsilane
CID 10990843
methyl-naphthalen-1-yl-phenyl-prop-2-enylsilane
CID 12598487
(1R)-N-(methyl-naphthalen-1-yl-phenylsilyl)-1-phenyl-N-[(1R)-1-phenylethyl]ethanamine
CID 100943831
dimethyl-[methyl-[2-[[methyl(diphenyl)silyl]methyl]phenyl]-naphthalen-1-ylsilyl]-phenylsilane
CID 12030742
(4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane
CID 13056160
butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane
CID 12030739
dichloro-ethyl-naphthalen-1-ylsilane
CID 90259567
hydroxy-tri(phenanthren-4-yl)silane
CID 15936214
dimethyl-(4-naphthalen-1-ylbutyl)-phenylsilane
CID 102040276
naphthalen-1-yl-(2-naphthalen-1-ylbutyl)-diphenylsilane
CID 151935295

Frequently Asked Questions

What is the IUPAC name of bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane?
The IUPAC name of bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane (CID 102005003) is bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane.
What is the SMILES notation for bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane?
The canonical SMILES for bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane is C[Si](C)(CC[Si](O)(c1ccccc1)c1cccc2ccccc12)CC[Si](O)(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane?
The InChIKey is VQUWVXCHBBBLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40O2Si3/c1-41(2,27-29-42(39,33-19-5-3-6-20-33)37-25-13-17-31-15-9-11-23-35(31)37)28-30-43(40,34-21-7-4-8-22-34)38-26-14-18-32-16-10-12-24-36(32)38/h3-26,39-40H,27-30H2,1-2H3.
What are the key properties of bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane?
bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane has a molecular weight of 612.99 g/mol, XLogP of 6.51, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane is sourced from PubChem (CID 102005003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).