(E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

C32H31F3OSi2 — CID 138979072

IUPAC(E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESC[Si](C)(/C(C(=O)c1ccc(C(F)(F)F)cc1)=C(\c1ccccc1)[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31F3OSi2/c1-37(2,27-16-10-6-11-17-27)30(25-14-8-5-9-15-25)31(38(3,4)28-18-12-7-13-19-28)29(36)24-20-22-26(23-21-24)32(33,34)35/h5-23H,1-4H3/b31-30+
InChIKeySNSJNESTCOALCK-NVQSTNCTSA-N
MW544.77 g/mol
LogP7.65
Rot. Bonds7

About (E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

(E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one (PubChem CID 138979072) has the molecular formula C32H31F3OSi2 and a molecular weight of 544.77 g/mol. Its IUPAC name is (E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
PubChem CID138979072
Molecular FormulaC32H31F3OSi2
Molecular Weight544.77 g/mol
Exact Mass544.19
IUPAC Name(E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESC[Si](C)(/C(C(=O)c1ccc(C(F)(F)F)cc1)=C(\c1ccccc1)[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31F3OSi2/c1-37(2,27-16-10-6-11-17-27)30(25-14-8-5-9-15-25)31(38(3,4)28-18-12-7-13-19-28)29(36)24-20-22-26(23-21-24)32(33,34)35/h5-23H,1-4H3/b31-30+
InChIKeySNSJNESTCOALCK-NVQSTNCTSA-N
XLogP7.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.77
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,4'-Diphenylbenzophenone
CID 228453
Phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
1,2,3,3-Tetraphenylprop-2-en-1-one
CID 236370
1-(4-(4-(Oxo(phenyl)acetyl)benzyl)phenyl)-2-phenyl-1,2-ethanedione
CID 365549
1-(4-Methylphenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone
CID 10596796
[4-(Diphenylmethyl)phenyl](phenyl)methanone
CID 13406533
Phenyl(triphenylsilyl)methanone
CID 3522576
[4-(4-Benzoylphenyl)phenyl](phenyl)methanone
CID 4671929
Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon
CID 6327809
2,3,4,5-Tetrakis(4-methylphenyl)-2,4-cyclopentadien-1-one
CID 370270
Bis{4-[(4-fluorophenyl)ethynyl]phenyl}methanone
CID 613998
4-(4-Biphenylyl)benzophenone
CID 4337892

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one (CID 138979072) is (E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is C[Si](C)(/C(C(=O)c1ccc(C(F)(F)F)cc1)=C(\c1ccccc1)[Si](C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
The InChIKey is SNSJNESTCOALCK-NVQSTNCTSA-N. The full InChI is InChI=1S/C32H31F3OSi2/c1-37(2,27-16-10-6-11-17-27)30(25-14-8-5-9-15-25)31(38(3,4)28-18-12-7-13-19-28)29(36)24-20-22-26(23-21-24)32(33,34)35/h5-23H,1-4H3/b31-30+.
What are the key properties of (E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
(E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one has a molecular weight of 544.77 g/mol, XLogP of 7.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 138979072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).