trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane

C24H22N2SSi — CID 157228108

IUPACtrimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane
SMILESCc1cc(-c2ncnc3cc([Si](C)(C)C)ccc23)c2sc3ccccc3c2c1
InChIInChI=1S/C24H22N2SSi/c1-15-11-19-17-7-5-6-8-22(17)27-24(19)20(12-15)23-18-10-9-16(28(2,3)4)13-21(18)25-14-26-23/h5-14H,1-4H3
InChIKeyAPABRWLIQNMIPU-UHFFFAOYSA-N
MW398.61 g/mol
LogP6.52
Rot. Bonds2

About trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane

trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane (PubChem CID 157228108) has the molecular formula C24H22N2SSi and a molecular weight of 398.61 g/mol. Its IUPAC name is trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane
PubChem CID157228108
Molecular FormulaC24H22N2SSi
Molecular Weight398.61 g/mol
Exact Mass398.13
IUPAC Nametrimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane
SMILESCc1cc(-c2ncnc3cc([Si](C)(C)C)ccc23)c2sc3ccccc3c2c1
InChIInChI=1S/C24H22N2SSi/c1-15-11-19-17-7-5-6-8-22(17)27-24(19)20(12-15)23-18-10-9-16(28(2,3)4)13-21(18)25-14-26-23/h5-14H,1-4H3
InChIKeyAPABRWLIQNMIPU-UHFFFAOYSA-N
XLogP6.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.61
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-di(dibenzothiophen-4-yl)-4-methylphenol
CID 67087347
4-iodo-2-methyldibenzothiophene
CID 134396873
[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293747
3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
CID 129134273
trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane
CID 167365003
3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500388
4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155078247
10-[4-(2,8-dimethyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858400
2-[3-(2,8-dimethyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369569
[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293440
3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline
CID 159945206
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane?
The IUPAC name of trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane (CID 157228108) is trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane.
What is the SMILES notation for trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane?
The canonical SMILES for trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane is Cc1cc(-c2ncnc3cc([Si](C)(C)C)ccc23)c2sc3ccccc3c2c1.
What is the InChIKey of trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane?
The InChIKey is APABRWLIQNMIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2SSi/c1-15-11-19-17-7-5-6-8-22(17)27-24(19)20(12-15)23-18-10-9-16(28(2,3)4)13-21(18)25-14-26-23/h5-14H,1-4H3.
What are the key properties of trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane?
trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane has a molecular weight of 398.61 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane is sourced from PubChem (CID 157228108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).