2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile

C23H24NPSi — CID 11199639

IUPAC2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile
SMILESC[Si](C)(C)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NPSi/c1-26(2,3)23(19-24)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,1-3H3
InChIKeyRWJADAPILIBDKX-UHFFFAOYSA-N
MW373.51 g/mol
LogP4.55
Rot. Bonds4

About 2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile

2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile (PubChem CID 11199639) has the molecular formula C23H24NPSi and a molecular weight of 373.51 g/mol. Its IUPAC name is 2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile.

Molecular Properties

Compound Name2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile
PubChem CID11199639
Molecular FormulaC23H24NPSi
Molecular Weight373.51 g/mol
Exact Mass373.14
IUPAC Name2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile
SMILESC[Si](C)(C)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NPSi/c1-26(2,3)23(19-24)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,1-3H3
InChIKeyRWJADAPILIBDKX-UHFFFAOYSA-N
XLogP4.55
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile?
The IUPAC name of 2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile (CID 11199639) is 2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile.
What is the SMILES notation for 2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile?
The canonical SMILES for 2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile is C[Si](C)(C)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile?
The InChIKey is RWJADAPILIBDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NPSi/c1-26(2,3)23(19-24)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,1-3H3.
What are the key properties of 2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile?
2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile has a molecular weight of 373.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyl-2-(triphenyl-lambda5-phosphanylidene)acetonitrile is sourced from PubChem (CID 11199639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).