[(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane

C22H28Br2Si2 — CID 101459426

IUPAC[(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane
SMILESC[Si](C)(C)/C(Br)=C(C(=C(\Br)[Si](C)(C)C)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C22H28Br2Si2/c1-25(2,3)21(23)19(17-13-9-7-10-14-17)20(22(24)26(4,5)6)18-15-11-8-12-16-18/h7-16H,1-6H3/b21-19+,22-20+
InChIKeyGCSOXLLAKJGHLI-FLFKKZLDSA-N
MW508.45 g/mol
LogP8.35
Rot. Bonds5

About [(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane

[(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane (PubChem CID 101459426) has the molecular formula C22H28Br2Si2 and a molecular weight of 508.45 g/mol. Its IUPAC name is [(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane
PubChem CID101459426
Molecular FormulaC22H28Br2Si2
Molecular Weight508.45 g/mol
Exact Mass506.01
IUPAC Name[(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane
SMILESC[Si](C)(C)/C(Br)=C(C(=C(\Br)[Si](C)(C)C)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C22H28Br2Si2/c1-25(2,3)21(23)19(17-13-9-7-10-14-17)20(22(24)26(4,5)6)18-15-11-8-12-16-18/h7-16H,1-6H3/b21-19+,22-20+
InChIKeyGCSOXLLAKJGHLI-FLFKKZLDSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.45
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane with MolForge

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Related Compounds

(Z)-4-bromo-3,4-diphenylbut-3-en-2-one
CID 19389265
hydroxy-dimethyl-(1-phenylethenyl)silane
CID 15263620
(1-bromo-2-phenylprop-2-enyl)-trimethylsilane
CID 15744273
benzoic acid;tert-butyl-hydroxy-dimethylsilane
CID 71403721
[bromo(phenyl)methylidene]-dimethylazanium
CID 576371
benzoyl bromide
CID 12056
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
(E)-1,2-diphenylethene-1,2-dithiolate
CID 102075609
1-bromoethenylbenzene;sulfane
CID 175924538
trimethyl-[(E)-2-phenyl-3-trimethylsilylprop-1-enyl]silane
CID 10015597
2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid
CID 5247195
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285

Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane (CID 101459426) is [(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane is C[Si](C)(C)/C(Br)=C(C(=C(\Br)[Si](C)(C)C)/c1ccccc1)\c1ccccc1.
What is the InChIKey of [(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane?
The InChIKey is GCSOXLLAKJGHLI-FLFKKZLDSA-N. The full InChI is InChI=1S/C22H28Br2Si2/c1-25(2,3)21(23)19(17-13-9-7-10-14-17)20(22(24)26(4,5)6)18-15-11-8-12-16-18/h7-16H,1-6H3/b21-19+,22-20+.
What are the key properties of [(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane?
[(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane has a molecular weight of 508.45 g/mol, XLogP of 8.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-1,4-dibromo-2,3-diphenyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 101459426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).