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

C27H27NSi — CID 155804378

IUPAC2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane
SMILESC=C[C@H](Cn1c2ccccc2c2ccccc21)c1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C27H27NSi/c1-5-22(23-16-14-21(15-17-23)18-19-29(2,3)4)20-28-26-12-8-6-10-24(26)25-11-7-9-13-27(25)28/h5-17,22H,1,20H2,2-4H3/t22-/m1/s1
InChIKeyBZNHGKGPGXDJFX-JOCHJYFZSA-N
MW393.61 g/mol
LogP6.99
Rot. Bonds4

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

2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane (PubChem CID 155804378) has the molecular formula C27H27NSi and a molecular weight of 393.61 g/mol. Its IUPAC name is 2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane
PubChem CID155804378
Molecular FormulaC27H27NSi
Molecular Weight393.61 g/mol
Exact Mass393.19
IUPAC Name2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane
SMILESC=C[C@H](Cn1c2ccccc2c2ccccc21)c1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C27H27NSi/c1-5-22(23-16-14-21(15-17-23)18-19-29(2,3)4)20-28-26-12-8-6-10-24(26)25-11-7-9-13-27(25)28/h5-17,22H,1,20H2,2-4H3/t22-/m1/s1
InChIKeyBZNHGKGPGXDJFX-JOCHJYFZSA-N
XLogP6.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 56.99
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane
CID 155804337
9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole
CID 155804386
trimethyl-[2-(4-propan-2-ylphenyl)ethynyl]silane
CID 23390603
1-carbazol-9-ylpropan-2-amine
CID 21430322
trimethyl-[2-[6-(1-propan-2-ylindol-3-yl)-3-pyridinyl]ethynyl]silane
CID 141180377
2-(4-dimethylsilylphenyl)ethynyl-trimethylsilane
CID 71381536
trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane
CID 102311843
9-(2,2-difluoroethyl)carbazole
CID 162535518
5-carbazol-9-yl-4-hydroxypent-1-en-3-one
CID 174669018
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
(2R)-3-carbazol-9-yl-2-methylpropan-1-ol
CID 54249395
9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane
CID 159472664

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane (CID 155804378) is 2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane is C=C[C@H](Cn1c2ccccc2c2ccccc21)c1ccc(C#C[Si](C)(C)C)cc1.
What is the InChIKey of 2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane?
The InChIKey is BZNHGKGPGXDJFX-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H27NSi/c1-5-22(23-16-14-21(15-17-23)18-19-29(2,3)4)20-28-26-12-8-6-10-24(26)25-11-7-9-13-27(25)28/h5-17,22H,1,20H2,2-4H3/t22-/m1/s1.
What are the key properties of 2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane?
2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane has a molecular weight of 393.61 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 155804378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).