[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium

C21H30N3Si+ — CID 164933534

IUPAC[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium
SMILESCCN(CC)c1ccc2c(c1)[Si](C)(C)C1=C/C(=[N+](\C)CC)C=CC1=N2
InChIInChI=1S/C21H30N3Si/c1-7-23(4)16-10-12-18-20(14-16)25(5,6)21-15-17(24(8-2)9-3)11-13-19(21)22-18/h10-15H,7-9H2,1-6H3/q+1
InChIKeyZUPLVBLEHNQJSX-UHFFFAOYSA-N
MW352.58 g/mol
LogP3.67
Rot. Bonds4

About [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium

[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium (PubChem CID 164933534) has the molecular formula C21H30N3Si+ and a molecular weight of 352.58 g/mol. Its IUPAC name is [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium.

Molecular Properties

Compound Name[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium
PubChem CID164933534
Molecular FormulaC21H30N3Si+
Molecular Weight352.58 g/mol
Exact Mass352.22
IUPAC Name[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium
SMILESCCN(CC)c1ccc2c(c1)[Si](C)(C)C1=C/C(=[N+](\C)CC)C=CC1=N2
InChIInChI=1S/C21H30N3Si/c1-7-23(4)16-10-12-18-20(14-16)25(5,6)21-15-17(24(8-2)9-3)11-13-19(21)22-18/h10-15H,7-9H2,1-6H3/q+1
InChIKeyZUPLVBLEHNQJSX-UHFFFAOYSA-N
XLogP3.67
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one
CID 161113348
[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium;[8-(dimethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;[8-(ethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-dimethylazanium;1-ethyl-N,N,11,11-tetramethyl-3,4-dihydro-2H-quinolino[6,7-b][1,4]benzazasilin-1-ium-9-amine;N,N,1,10,10-pentamethyl-2,3-dihydroindolo[5,6-b][1,4]benzazasilin-1-ium-8-amine;2,2,6,20-tetramethyl-13,20-diaza-6-azonia-2-silapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene
CID 167652803
bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine)
CID 160547488
4-[8-(dimethylamino)-2-ethylimino-10-methylbenzo[b][1,4]benzazasilin-10-yl]butanoic acid
CID 174030355
7-(diethylamino)-5-methyl-5-phenylphenothiazin-3-one
CID 167074147
[10-[2-(bromomethyl)phenyl]-7-(dimethylamino)-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 123825743
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
[10-(5-bromo-2,4-dimethylphenyl)-7-(dimethylamino)-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 155760899
[7-(dimethylamino)-10-[5-(ethylcarbamoyl)-2-methylphenyl]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 160652370
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
[10-[2-carboxy-5-(2,2-dimethylpentan-3-yl)-3,4,6-trifluorophenyl]-7-(dimethylamino)-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 158857080
[10-(2,4-dicarboxyphenyl)-7-(dimethylamino)-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 71509947

Frequently Asked Questions

What is the IUPAC name of [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium?
The IUPAC name of [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium (CID 164933534) is [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium.
What is the SMILES notation for [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium?
The canonical SMILES for [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium is CCN(CC)c1ccc2c(c1)[Si](C)(C)C1=C/C(=[N+](\C)CC)C=CC1=N2.
What is the InChIKey of [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium?
The InChIKey is ZUPLVBLEHNQJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N3Si/c1-7-23(4)16-10-12-18-20(14-16)25(5,6)21-15-17(24(8-2)9-3)11-13-19(21)22-18/h10-15H,7-9H2,1-6H3/q+1.
What are the key properties of [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium?
[8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium has a molecular weight of 352.58 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(diethylamino)-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene]-ethyl-methylazanium is sourced from PubChem (CID 164933534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).