10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline

C15H15Cl2NO2Si — CID 122369508

IUPAC10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline
SMILESCOc1cccc2c1[Si](Cl)(Cl)c1c(OC)cccc1N2C
InChIInChI=1S/C15H15Cl2NO2Si/c1-18-10-6-4-8-12(19-2)14(10)21(16,17)15-11(18)7-5-9-13(15)20-3/h4-9H,1-3H3
InChIKeyHVHNDKHTVNFDSB-UHFFFAOYSA-N
MW340.28 g/mol
LogP2.82
Rot. Bonds2

About 10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline

10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline (PubChem CID 122369508) has the molecular formula C15H15Cl2NO2Si and a molecular weight of 340.28 g/mol. Its IUPAC name is 10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline
PubChem CID122369508
Molecular FormulaC15H15Cl2NO2Si
Molecular Weight340.28 g/mol
Exact Mass339.02
IUPAC Name10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline
SMILESCOc1cccc2c1[Si](Cl)(Cl)c1c(OC)cccc1N2C
InChIInChI=1S/C15H15Cl2NO2Si/c1-18-10-6-4-8-12(19-2)14(10)21(16,17)15-11(18)7-5-9-13(15)20-3/h4-9H,1-3H3
InChIKeyHVHNDKHTVNFDSB-UHFFFAOYSA-N
XLogP2.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline?
The IUPAC name of 10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline (CID 122369508) is 10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline is COc1cccc2c1[Si](Cl)(Cl)c1c(OC)cccc1N2C.
What is the InChIKey of 10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline?
The InChIKey is HVHNDKHTVNFDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2Si/c1-18-10-6-4-8-12(19-2)14(10)21(16,17)15-11(18)7-5-9-13(15)20-3/h4-9H,1-3H3.
What are the key properties of 10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline?
10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline has a molecular weight of 340.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 122369508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).