[(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane

C19H21ISi — CID 10250621

IUPAC[(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane
SMILESC[Si](C)(C)/C(I)=C\C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21ISi/c1-21(2,3)19(20)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3/b19-15-
InChIKeyDYOQOSQKDIBWNQ-CYVLTUHYSA-N
MW404.37 g/mol
LogP6.31
Rot. Bonds4

About [(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane

[(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane (PubChem CID 10250621) has the molecular formula C19H21ISi and a molecular weight of 404.37 g/mol. Its IUPAC name is [(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane
PubChem CID10250621
Molecular FormulaC19H21ISi
Molecular Weight404.37 g/mol
Exact Mass404.05
IUPAC Name[(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane
SMILESC[Si](C)(C)/C(I)=C\C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21ISi/c1-21(2,3)19(20)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3/b19-15-
InChIKeyDYOQOSQKDIBWNQ-CYVLTUHYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.37
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,3Z)-1,4-diiodo-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane
CID 139075584
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline
CID 22124141
[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
CID 54610555
[(Z)-1-iodo-2-(2-methylphenyl)ethenyl]-trimethylsilane
CID 102521364
tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane
CID 11798344
trimethyl(2,5,5-triphenylpenta-1,4-dienyl)silane
CID 601377
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline
CID 59084118
N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline
CID 23526005
(2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid
CID 142147840
methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate
CID 18740011

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane (CID 10250621) is [(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane is C[Si](C)(C)/C(I)=C\C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane?
The InChIKey is DYOQOSQKDIBWNQ-CYVLTUHYSA-N. The full InChI is InChI=1S/C19H21ISi/c1-21(2,3)19(20)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3/b19-15-.
What are the key properties of [(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane?
[(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane has a molecular weight of 404.37 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 10250621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).