dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane

C28H26S2Si — CID 159143305

IUPACdibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane
SMILESCc1cccc2c1sc1c([Si](C)(C)C)cccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C16H18SSi.C12H8S/c1-11-7-5-8-12-13-9-6-10-14(18(2,3)4)16(13)17-15(11)12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h5-10H,1-4H3;1-8H
InChIKeyKIJBRQNSCWNMTC-UHFFFAOYSA-N
MW454.74 g/mol
LogP8.96
Rot. Bonds1

About dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane

dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane (PubChem CID 159143305) has the molecular formula C28H26S2Si and a molecular weight of 454.74 g/mol. Its IUPAC name is dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane.

Molecular Properties

Compound Namedibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane
PubChem CID159143305
Molecular FormulaC28H26S2Si
Molecular Weight454.74 g/mol
Exact Mass454.12
IUPAC Namedibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane
SMILESCc1cccc2c1sc1c([Si](C)(C)C)cccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C16H18SSi.C12H8S/c1-11-7-5-8-12-13-9-6-10-14(18(2,3)4)16(13)17-15(11)12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h5-10H,1-4H3;1-8H
InChIKeyKIJBRQNSCWNMTC-UHFFFAOYSA-N
XLogP8.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyldibenzothiophene
CID 161055331
1-methyldibenzothiophene
CID 23839
dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane
CID 140776683
dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007138
1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158815126
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);bis(3-methyldibenzothiophene);4-methyldibenzothiophene;toluene
CID 157283960
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);tris(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158221081
bis(dibenzothiophene);ethane
CID 143921746
N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine
CID 140873324
4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine
CID 129292222
trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane
CID 166018502
4,5-dimethylthioxanthen-9-one
CID 10800095

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane?
The IUPAC name of dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane (CID 159143305) is dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane.
What is the SMILES notation for dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane?
The canonical SMILES for dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane is Cc1cccc2c1sc1c([Si](C)(C)C)cccc12.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane?
The InChIKey is KIJBRQNSCWNMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18SSi.C12H8S/c1-11-7-5-8-12-13-9-6-10-14(18(2,3)4)16(13)17-15(11)12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h5-10H,1-4H3;1-8H.
What are the key properties of dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane?
dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane has a molecular weight of 454.74 g/mol, XLogP of 8.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane is sourced from PubChem (CID 159143305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).