trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane

C19H22N2SSi — CID 15135812

IUPACtrimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane
SMILESCc1cc2c(s1)C=C(c1ccc([Si](C)(C)C)cc1)N1CCN=C21
InChIInChI=1S/C19H22N2SSi/c1-13-11-16-18(22-13)12-17(21-10-9-20-19(16)21)14-5-7-15(8-6-14)23(2,3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyPNYMQXLWHZZNQP-UHFFFAOYSA-N
MW338.55 g/mol
LogP4.18
Rot. Bonds2

About trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane

trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane (PubChem CID 15135812) has the molecular formula C19H22N2SSi and a molecular weight of 338.55 g/mol. Its IUPAC name is trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane
PubChem CID15135812
Molecular FormulaC19H22N2SSi
Molecular Weight338.55 g/mol
Exact Mass338.13
IUPAC Nametrimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane
SMILESCc1cc2c(s1)C=C(c1ccc([Si](C)(C)C)cc1)N1CCN=C21
InChIInChI=1S/C19H22N2SSi/c1-13-11-16-18(22-13)12-17(21-10-9-20-19(16)21)14-5-7-15(8-6-14)23(2,3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyPNYMQXLWHZZNQP-UHFFFAOYSA-N
XLogP4.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.55
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane?
The IUPAC name of trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane (CID 15135812) is trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane.
What is the SMILES notation for trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane?
The canonical SMILES for trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane is Cc1cc2c(s1)C=C(c1ccc([Si](C)(C)C)cc1)N1CCN=C21.
What is the InChIKey of trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane?
The InChIKey is PNYMQXLWHZZNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2SSi/c1-13-11-16-18(22-13)12-17(21-10-9-20-19(16)21)14-5-7-15(8-6-14)23(2,3)4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane?
trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane has a molecular weight of 338.55 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(11-methyl-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-7-yl)phenyl]silane is sourced from PubChem (CID 15135812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).