(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one

C25H31NO5Si — CID 160604779

IUPAC(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one
SMILESCCO[Si](OCC)(OCC)c1ccc(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1
InChIInChI=1S/C25H31NO5Si/c1-6-28-32(29-7-2,30-8-3)23-15-11-20(12-16-23)24-18-21(25(27)31-24)17-19-9-13-22(14-10-19)26(4)5/h9-18H,6-8H2,1-5H3/b21-17-
InChIKeyUVSIUMFEGPZKNE-FXBPSFAMSA-N
MW453.61 g/mol
LogP3.99
Rot. Bonds10

About (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one (PubChem CID 160604779) has the molecular formula C25H31NO5Si and a molecular weight of 453.61 g/mol. Its IUPAC name is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one
PubChem CID160604779
Molecular FormulaC25H31NO5Si
Molecular Weight453.61 g/mol
Exact Mass453.20
IUPAC Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one
SMILESCCO[Si](OCC)(OCC)c1ccc(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1
InChIInChI=1S/C25H31NO5Si/c1-6-28-32(29-7-2,30-8-3)23-15-11-20(12-16-23)24-18-21(25(27)31-24)17-19-9-13-22(14-10-19)26(4)5/h9-18H,6-8H2,1-5H3/b21-17-
InChIKeyUVSIUMFEGPZKNE-FXBPSFAMSA-N
XLogP3.99
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-ethylphenyl)furan-2-one
CID 2301109
3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3114214
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 785278
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123621
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
5-(4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)furan-2-one
CID 795137
(3Z)-3-[(4-butoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 2277451
triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane
CID 44819799
3-[N-(2-cyanoethyl)-4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]anilino]propanenitrile
CID 6391917
3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one
CID 809070

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one?
The IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one (CID 160604779) is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one.
What is the SMILES notation for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one?
The canonical SMILES for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one is CCO[Si](OCC)(OCC)c1ccc(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1.
What is the InChIKey of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one?
The InChIKey is UVSIUMFEGPZKNE-FXBPSFAMSA-N. The full InChI is InChI=1S/C25H31NO5Si/c1-6-28-32(29-7-2,30-8-3)23-15-11-20(12-16-23)24-18-21(25(27)31-24)17-19-9-13-22(14-10-19)26(4)5/h9-18H,6-8H2,1-5H3/b21-17-.
What are the key properties of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one?
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one has a molecular weight of 453.61 g/mol, XLogP of 3.99, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(4-triethoxysilylphenyl)furan-2-one is sourced from PubChem (CID 160604779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).