(1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one

C25H22OSi — CID 24858896

IUPAC(1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one
SMILESC[Si](C)(/C=C1\C(=O)/C(=C/c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H22OSi/c1-27(2,20-13-7-4-8-14-20)18-24-22-16-10-9-15-21(22)23(25(24)26)17-19-11-5-3-6-12-19/h3-18H,1-2H3/b23-17+,24-18-
InChIKeyJSNVDLHUWSZXJB-QEYUTVSCSA-N
MW366.54 g/mol
LogP5.35
Rot. Bonds3

About (1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one

(1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one (PubChem CID 24858896) has the molecular formula C25H22OSi and a molecular weight of 366.54 g/mol. Its IUPAC name is (1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one.

Molecular Properties

Compound Name(1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one
PubChem CID24858896
Molecular FormulaC25H22OSi
Molecular Weight366.54 g/mol
Exact Mass366.14
IUPAC Name(1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one
SMILESC[Si](C)(/C=C1\C(=O)/C(=C/c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H22OSi/c1-27(2,20-13-7-4-8-14-20)18-24-22-16-10-9-15-21(22)23(25(24)26)17-19-11-5-3-6-12-19/h3-18H,1-2H3/b23-17+,24-18-
InChIKeyJSNVDLHUWSZXJB-QEYUTVSCSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one
CID 2387034
3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one
CID 139774128
(5E)-5-benzylideneindeno[1,2-b]pyridine
CID 1202788
3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030
4-benzylidenepyrazolidine-3,5-dione
CID 68539282
9-benzylidene-3-methylindeno[2,1-c]pyridine
CID 1427170
2-[[4-(N-phenylanilino)phenyl]methylidene]indene-1,3-dione
CID 22982112
4-[(1,3-dioxoinden-2-ylidene)methyl]benzoic acid
CID 4050539
1,3-bis(hydroxymethylidene)inden-2-one
CID 71389736
[4-[dimethyl-[(Z)-2-phenylethenyl]silyl]phenyl]-dimethyl-[(Z)-2-phenylethenyl]silane
CID 101344758
(4Z)-2-(2-methylphenyl)-4-[[4-[(Z)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]methylidene]-1,3-oxazol-5-one
CID 93051206
4-[(4-methoxyphenyl)methylidene]isochromene-1,3-dione
CID 3102747

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one?
The IUPAC name of (1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one (CID 24858896) is (1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one.
What is the SMILES notation for (1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one?
The canonical SMILES for (1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one is C[Si](C)(/C=C1\C(=O)/C(=C/c2ccccc2)c2ccccc21)c1ccccc1.
What is the InChIKey of (1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one?
The InChIKey is JSNVDLHUWSZXJB-QEYUTVSCSA-N. The full InChI is InChI=1S/C25H22OSi/c1-27(2,20-13-7-4-8-14-20)18-24-22-16-10-9-15-21(22)23(25(24)26)17-19-11-5-3-6-12-19/h3-18H,1-2H3/b23-17+,24-18-.
What are the key properties of (1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one?
(1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one has a molecular weight of 366.54 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one is sourced from PubChem (CID 24858896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).