dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane

C24H26Si — CID 101441777

IUPACdimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane
SMILESC/C=C/[C@@H](c1ccccc1-c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H26Si/c1-4-13-24(25(2,3)21-16-9-6-10-17-21)23-19-12-11-18-22(23)20-14-7-5-8-15-20/h4-19,24H,1-3H3/b13-4+/t24-/m0/s1
InChIKeyPKLRYYMURNNJHQ-SERNOFLVSA-N
MW342.56 g/mol
LogP6.17
Rot. Bonds5

About dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane

dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane (PubChem CID 101441777) has the molecular formula C24H26Si and a molecular weight of 342.56 g/mol. Its IUPAC name is dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane
PubChem CID101441777
Molecular FormulaC24H26Si
Molecular Weight342.56 g/mol
Exact Mass342.18
IUPAC Namedimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane
SMILESC/C=C/[C@@H](c1ccccc1-c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H26Si/c1-4-13-24(25(2,3)21-16-9-6-10-17-21)23-19-12-11-18-22(23)20-14-7-5-8-15-20/h4-19,24H,1-3H3/b13-4+/t24-/m0/s1
InChIKeyPKLRYYMURNNJHQ-SERNOFLVSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

O-Terphenyl
CID 6766
Triphenylethylene
CID 6025
2-Benzyltoluene
CID 69738
2-Methylbiphenyl
CID 12563
Triphenylmethane
CID 10614
1,1,1-Triphenylethane
CID 78926
o-Quaterphenyl
CID 12549
Benzene, 1,1',1''-[(chlorosilylidyne)tris(methylene)]tris-
CID 87774
(Phenylmethyl)-1,1'-biphenyl
CID 169283
2,2'-Dimethylbiphenyl
CID 11797
1,1'-Biphenyl, ethyl-
CID 15742
2,4,6-Triphenyl-1-hexene
CID 177033

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane?
The IUPAC name of dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane (CID 101441777) is dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane.
What is the SMILES notation for dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane?
The canonical SMILES for dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane is C/C=C/[C@@H](c1ccccc1-c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane?
The InChIKey is PKLRYYMURNNJHQ-SERNOFLVSA-N. The full InChI is InChI=1S/C24H26Si/c1-4-13-24(25(2,3)21-16-9-6-10-17-21)23-19-12-11-18-22(23)20-14-7-5-8-15-20/h4-19,24H,1-3H3/b13-4+/t24-/m0/s1.
What are the key properties of dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane?
dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane has a molecular weight of 342.56 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[(E,1S)-1-(2-phenylphenyl)but-2-enyl]silane is sourced from PubChem (CID 101441777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).