[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane

C25H27NSi — CID 155804337

IUPAC[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane
SMILESC=C[C@H](Cn1c2ccccc2c2ccccc21)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C25H27NSi/c1-5-19(20-14-16-21(17-15-20)27(2,3)4)18-26-24-12-8-6-10-22(24)23-11-7-9-13-25(23)26/h5-17,19H,1,18H2,2-4H3/t19-/m1/s1
InChIKeyWULYKVORGUFNGH-LJQANCHMSA-N
MW369.58 g/mol
LogP6.31
Rot. Bonds5

About [4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane

[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane (PubChem CID 155804337) has the molecular formula C25H27NSi and a molecular weight of 369.58 g/mol. Its IUPAC name is [4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane
PubChem CID155804337
Molecular FormulaC25H27NSi
Molecular Weight369.58 g/mol
Exact Mass369.19
IUPAC Name[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane
SMILESC=C[C@H](Cn1c2ccccc2c2ccccc21)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C25H27NSi/c1-5-19(20-14-16-21(17-15-20)27(2,3)4)18-26-24-12-8-6-10-22(24)23-11-7-9-13-25(23)26/h5-17,19H,1,18H2,2-4H3/t19-/m1/s1
InChIKeyWULYKVORGUFNGH-LJQANCHMSA-N
XLogP6.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.58
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane (CID 155804337) is [4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane is C=C[C@H](Cn1c2ccccc2c2ccccc21)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of [4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane?
The InChIKey is WULYKVORGUFNGH-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27NSi/c1-5-19(20-14-16-21(17-15-20)27(2,3)4)18-26-24-12-8-6-10-22(24)23-11-7-9-13-25(23)26/h5-17,19H,1,18H2,2-4H3/t19-/m1/s1.
What are the key properties of [4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane?
[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane has a molecular weight of 369.58 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 155804337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).