dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane

C28H44NPSi — CID 164886886

IUPACdicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane
SMILESCC[Si](CC)(CC)c1ccccc1-n1cccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H44NPSi/c1-4-31(5-2,6-3)27-21-14-13-20-26(27)29-23-15-22-28(29)30(24-16-9-7-10-17-24)25-18-11-8-12-19-25/h13-15,20-25H,4-12,16-19H2,1-3H3
InChIKeyZRYJQWUYIXZFGG-UHFFFAOYSA-N
MW453.73 g/mol
LogP7.97
Rot. Bonds8

About dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane

dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane (PubChem CID 164886886) has the molecular formula C28H44NPSi and a molecular weight of 453.73 g/mol. Its IUPAC name is dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane
PubChem CID164886886
Molecular FormulaC28H44NPSi
Molecular Weight453.73 g/mol
Exact Mass453.30
IUPAC Namedicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane
SMILESCC[Si](CC)(CC)c1ccccc1-n1cccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H44NPSi/c1-4-31(5-2,6-3)27-21-14-13-20-26(27)29-23-15-22-28(29)30(24-16-9-7-10-17-24)25-18-11-8-12-19-25/h13-15,20-25H,4-12,16-19H2,1-3H3
InChIKeyZRYJQWUYIXZFGG-UHFFFAOYSA-N
XLogP7.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.73
LogP ≤ 57.97
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 dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane?
The IUPAC name of dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane (CID 164886886) is dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane?
The canonical SMILES for dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane is CC[Si](CC)(CC)c1ccccc1-n1cccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane?
The InChIKey is ZRYJQWUYIXZFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44NPSi/c1-4-31(5-2,6-3)27-21-14-13-20-26(27)29-23-15-22-28(29)30(24-16-9-7-10-17-24)25-18-11-8-12-19-25/h13-15,20-25H,4-12,16-19H2,1-3H3.
What are the key properties of dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane?
dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane has a molecular weight of 453.73 g/mol, XLogP of 7.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[1-(2-triethylsilylphenyl)pyrrol-2-yl]phosphane is sourced from PubChem (CID 164886886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).