triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane

C20H25NO2Si — CID 101380188

IUPACtriethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane
SMILESCC[Si](CC)(CC)/C(=C\c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H25NO2Si/c1-4-24(5-2,6-3)20(16-17-12-8-7-9-13-17)18-14-10-11-15-19(18)21(22)23/h7-16H,4-6H2,1-3H3/b20-16-
InChIKeyNDTJJGYYWDSJOG-SILNSSARSA-N
MW339.51 g/mol
LogP6.18
Rot. Bonds7

About triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane

triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane (PubChem CID 101380188) has the molecular formula C20H25NO2Si and a molecular weight of 339.51 g/mol. Its IUPAC name is triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane.

Molecular Properties

Compound Nametriethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane
PubChem CID101380188
Molecular FormulaC20H25NO2Si
Molecular Weight339.51 g/mol
Exact Mass339.17
IUPAC Nametriethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane
SMILESCC[Si](CC)(CC)/C(=C\c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H25NO2Si/c1-4-24(5-2,6-3)20(16-17-12-8-7-9-13-17)18-14-10-11-15-19(18)21(22)23/h7-16H,4-6H2,1-3H3/b20-16-
InChIKeyNDTJJGYYWDSJOG-SILNSSARSA-N
XLogP6.18
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.51
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 63181586
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
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CID 72796209
2-(2-methylphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 3469700
3-(4-bromophenyl)-2-(2-nitrophenyl)prop-2-enoic acid
CID 54296204
1,2-bis(1-nitro-2-phenylethenyl)benzene
CID 154163750
ethanol;2-nitrobenzaldehyde
CID 175129011
2-[(2-nitrophenyl)methylidene]-3-oxopentanoic acid
CID 57160343

Frequently Asked Questions

What is the IUPAC name of triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane?
The IUPAC name of triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane (CID 101380188) is triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane.
What is the SMILES notation for triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane?
The canonical SMILES for triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane is CC[Si](CC)(CC)/C(=C\c1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane?
The InChIKey is NDTJJGYYWDSJOG-SILNSSARSA-N. The full InChI is InChI=1S/C20H25NO2Si/c1-4-24(5-2,6-3)20(16-17-12-8-7-9-13-17)18-14-10-11-15-19(18)21(22)23/h7-16H,4-6H2,1-3H3/b20-16-.
What are the key properties of triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane?
triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane has a molecular weight of 339.51 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(Z)-1-(2-nitrophenyl)-2-phenylethenyl]silane is sourced from PubChem (CID 101380188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).