triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane

C32H36SSi — CID 170932126

IUPACtriethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane
SMILESCC[Si](CC)(CC)c1cc(-c2cccc3c2sc2c(CC(C)C)cccc23)cc2ccccc12
InChIInChI=1S/C32H36SSi/c1-6-34(7-2,8-3)30-21-25(20-23-13-9-10-15-26(23)30)27-16-12-18-29-28-17-11-14-24(19-22(4)5)31(28)33-32(27)29/h9-18,20-22H,6-8,19H2,1-5H3
InChIKeyWYZQODSNPSMCSI-UHFFFAOYSA-N
MW480.79 g/mol
LogP9.79
Rot. Bonds7

About triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane

triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane (PubChem CID 170932126) has the molecular formula C32H36SSi and a molecular weight of 480.79 g/mol. Its IUPAC name is triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane.

Molecular Properties

Compound Nametriethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane
PubChem CID170932126
Molecular FormulaC32H36SSi
Molecular Weight480.79 g/mol
Exact Mass480.23
IUPAC Nametriethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane
SMILESCC[Si](CC)(CC)c1cc(-c2cccc3c2sc2c(CC(C)C)cccc23)cc2ccccc12
InChIInChI=1S/C32H36SSi/c1-6-34(7-2,8-3)30-21-25(20-23-13-9-10-15-26(23)30)27-16-12-18-29-28-17-11-14-24(19-22(4)5)31(28)33-32(27)29/h9-18,20-22H,6-8,19H2,1-5H3
InChIKeyWYZQODSNPSMCSI-UHFFFAOYSA-N
XLogP9.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.79
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane
CID 170932025
3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole
CID 66799933
1-(3,5-dimethylphenyl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 166519219
[3-[7-(2,2-difluoroethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]-triethylsilane
CID 176623417
10-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122426637
3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene
CID 163458233
7-(2-methylpropyl)-4-[7-(2-methylpropyl)benzo[a]anthracen-4-yl]benzo[a]anthracene
CID 123766662
6-(4-tert-butylnaphthalen-2-yl)-14-(2-methylpropyl)-16-oxa-8-thia-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10,12,14-heptaene
CID 170545618
4-methyl-6-(4-phenanthren-9-ylphenyl)dibenzothiophene
CID 87688408
dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane
CID 170932157
6-(4-tert-butylnaphthalen-2-yl)-16,16-dimethyl-14-(2-methylpropyl)-8-thia-5-aza-16-silatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10,12,14-heptaene
CID 170545638
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane?
The IUPAC name of triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane (CID 170932126) is triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane.
What is the SMILES notation for triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane?
The canonical SMILES for triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane is CC[Si](CC)(CC)c1cc(-c2cccc3c2sc2c(CC(C)C)cccc23)cc2ccccc12.
What is the InChIKey of triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane?
The InChIKey is WYZQODSNPSMCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36SSi/c1-6-34(7-2,8-3)30-21-25(20-23-13-9-10-15-26(23)30)27-16-12-18-29-28-17-11-14-24(19-22(4)5)31(28)33-32(27)29/h9-18,20-22H,6-8,19H2,1-5H3.
What are the key properties of triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane?
triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane has a molecular weight of 480.79 g/mol, XLogP of 9.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-[6-(2-methylpropyl)dibenzothiophen-4-yl]naphthalen-1-yl]silane is sourced from PubChem (CID 170932126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).