(cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium

C56H88NP2Si2+ — CID 176656613

IUPAC(cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium
SMILESCCCC[Si](CCCC)(CCCC)c1ccc([P+](NC2CCCCC2)(Pc2ccc([Si](CCCC)(CCCC)CCCC)cc2-c2ccccc2C)c2ccccc2C)cc1
InChIInChI=1S/C56H88NP2Si2/c1-9-15-40-60(41-16-10-2,42-17-11-3)51-36-34-50(35-37-51)59(56-33-27-25-29-48(56)8,57-49-30-22-21-23-31-49)58-55-39-38-52(46-54(55)53-32-26-24-28-47(53)7)61(43-18-12-4,44-19-13-5)45-20-14-6/h24-29,32-39,46,49,57-58H,9-23,30-31,40-45H2,1-8H3/q+1
InChIKeyCAKPROQWWYWWBN-UHFFFAOYSA-N
MW893.45 g/mol
LogP15.81
Rot. Bonds27

About (cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium

(cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium (PubChem CID 176656613) has the molecular formula C56H88NP2Si2+ and a molecular weight of 893.45 g/mol. Its IUPAC name is (cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium.

Molecular Properties

Compound Name(cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium
PubChem CID176656613
Molecular FormulaC56H88NP2Si2+
Molecular Weight893.45 g/mol
Exact Mass892.59
IUPAC Name(cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium
SMILESCCCC[Si](CCCC)(CCCC)c1ccc([P+](NC2CCCCC2)(Pc2ccc([Si](CCCC)(CCCC)CCCC)cc2-c2ccccc2C)c2ccccc2C)cc1
InChIInChI=1S/C56H88NP2Si2/c1-9-15-40-60(41-16-10-2,42-17-11-3)51-36-34-50(35-37-51)59(56-33-27-25-29-48(56)8,57-49-30-22-21-23-31-49)58-55-39-38-52(46-54(55)53-32-26-24-28-47(53)7)61(43-18-12-4,44-19-13-5)45-20-14-6/h24-29,32-39,46,49,57-58H,9-23,30-31,40-45H2,1-8H3/q+1
InChIKeyCAKPROQWWYWWBN-UHFFFAOYSA-N
XLogP15.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.45
LogP ≤ 515.81
H-Bond Donors ≤ 51
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 (cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium?
The IUPAC name of (cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium (CID 176656613) is (cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium.
What is the SMILES notation for (cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium?
The canonical SMILES for (cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium is CCCC[Si](CCCC)(CCCC)c1ccc([P+](NC2CCCCC2)(Pc2ccc([Si](CCCC)(CCCC)CCCC)cc2-c2ccccc2C)c2ccccc2C)cc1.
What is the InChIKey of (cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium?
The InChIKey is CAKPROQWWYWWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H88NP2Si2/c1-9-15-40-60(41-16-10-2,42-17-11-3)51-36-34-50(35-37-51)59(56-33-27-25-29-48(56)8,57-49-30-22-21-23-31-49)58-55-39-38-52(46-54(55)53-32-26-24-28-47(53)7)61(43-18-12-4,44-19-13-5)45-20-14-6/h24-29,32-39,46,49,57-58H,9-23,30-31,40-45H2,1-8H3/q+1.
What are the key properties of (cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium?
(cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium has a molecular weight of 893.45 g/mol, XLogP of 15.81, 27 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium is sourced from PubChem (CID 176656613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).