tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate

C21H23N3O2Sn — CID 16688235

IUPACtris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
SMILESC=C[Sn](C=C)(C=C)OC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1
InChIInChI=1S/C15H15N3O2.3C2H3.Sn/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;3*1-2;/h3-10H,1-2H3,(H,19,20);3*1H,2H2;/q;;;;+1/p-1/b17-16+;;;;
InChIKeyVERVGJINVCLRIN-PGXCWKBOSA-M
MW468.15 g/mol
LogP5.45
Rot. Bonds8

About tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate

tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate (PubChem CID 16688235) has the molecular formula C21H23N3O2Sn and a molecular weight of 468.15 g/mol. Its IUPAC name is tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate.

Molecular Properties

Compound Nametris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
PubChem CID16688235
Molecular FormulaC21H23N3O2Sn
Molecular Weight468.15 g/mol
Exact Mass469.08
IUPAC Nametris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
SMILESC=C[Sn](C=C)(C=C)OC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1
InChIInChI=1S/C15H15N3O2.3C2H3.Sn/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;3*1-2;/h3-10H,1-2H3,(H,19,20);3*1H,2H2;/q;;;;+1/p-1/b17-16+;;;;
InChIKeyVERVGJINVCLRIN-PGXCWKBOSA-M
XLogP5.45
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.15
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 3574015
[2-(4-bromophenyl)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 3103373
[2-(4-acetyloxyphenyl)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 126185510
tert-butyl 2-[[2-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetate
CID 58979915
4-[(2-methoxyphenyl)diazenyl]-N,N-dimethylaniline
CID 18161
[2-[[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 98590980
[2-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 98411545
2-[[4-(diethylamino)phenyl]diazenyl]benzoic acid iodide
CID 20831759
2-[[4-(dimethylamino)phenyl]diazenyl]-6-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid
CID 87280472
2-[(4-acetyloxyphenyl)diazenyl]benzoic acid;[4-[[2-(butylcarbamoyl)phenyl]diazenyl]phenyl] acetate;N-butyl-2-[[4-(dimethylamino)phenyl]diazenyl]benzamide;2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid
CID 164992484
4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 167289773
2-[[4-(methylamino)phenyl]diazenyl]benzoic acid
CID 13038165

Frequently Asked Questions

What is the IUPAC name of tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate?
The IUPAC name of tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate (CID 16688235) is tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate.
What is the SMILES notation for tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate?
The canonical SMILES for tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate is C=C[Sn](C=C)(C=C)OC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1.
What is the InChIKey of tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate?
The InChIKey is VERVGJINVCLRIN-PGXCWKBOSA-M. The full InChI is InChI=1S/C15H15N3O2.3C2H3.Sn/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;3*1-2;/h3-10H,1-2H3,(H,19,20);3*1H,2H2;/q;;;;+1/p-1/b17-16+;;;;.
What are the key properties of tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate?
tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate has a molecular weight of 468.15 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethenyl)stannyl 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate is sourced from PubChem (CID 16688235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).