[bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium

C67H111F3NP2Si4+ — CID 170944133

IUPAC[bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium
SMILESCCC[Si](CCC)(CCC)c1ccc(P(N[P+](c2ccc([Si](CCC)(CCC)CCC)cc2)(c2ccc([Si](CCC)(CCC)CCC)cc2)C2CCC(C(F)(F)F)CC2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1
InChIInChI=1S/C67H111F3NP2Si4/c1-13-45-74(46-14-2,47-15-3)63-37-27-58(28-38-63)72(59-29-39-64(40-30-59)75(48-16-4,49-17-5)50-18-6)71-73(60-31-25-57(26-32-60)67(68,69)70,61-33-41-65(42-34-61)76(51-19-7,52-20-8)53-21-9)62-35-43-66(44-36-62)77(54-22-10,55-23-11)56-24-12/h27-30,33-44,57,60,71H,13-26,31-32,45-56H2,1-12H3/q+1
InChIKeyHKUKNVQLDKPDHS-UHFFFAOYSA-N
MW1161.92 g/mol
LogP18.87
Rot. Bonds35

About [bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium

[bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium (PubChem CID 170944133) has the molecular formula C67H111F3NP2Si4+ and a molecular weight of 1161.92 g/mol. Its IUPAC name is [bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium.

Molecular Properties

Compound Name[bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium
PubChem CID170944133
Molecular FormulaC67H111F3NP2Si4+
Molecular Weight1161.92 g/mol
Exact Mass1160.72
IUPAC Name[bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium
SMILESCCC[Si](CCC)(CCC)c1ccc(P(N[P+](c2ccc([Si](CCC)(CCC)CCC)cc2)(c2ccc([Si](CCC)(CCC)CCC)cc2)C2CCC(C(F)(F)F)CC2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1
InChIInChI=1S/C67H111F3NP2Si4/c1-13-45-74(46-14-2,47-15-3)63-37-27-58(28-38-63)72(59-29-39-64(40-30-59)75(48-16-4,49-17-5)50-18-6)71-73(60-31-25-57(26-32-60)67(68,69)70,61-33-41-65(42-34-61)76(51-19-7,52-20-8)53-21-9)62-35-43-66(44-36-62)77(54-22-10,55-23-11)56-24-12/h27-30,33-44,57,60,71H,13-26,31-32,45-56H2,1-12H3/q+1
InChIKeyHKUKNVQLDKPDHS-UHFFFAOYSA-N
XLogP18.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.92
LogP ≤ 518.87
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 [bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium?
The IUPAC name of [bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium (CID 170944133) is [bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium.
What is the SMILES notation for [bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium?
The canonical SMILES for [bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium is CCC[Si](CCC)(CCC)c1ccc(P(N[P+](c2ccc([Si](CCC)(CCC)CCC)cc2)(c2ccc([Si](CCC)(CCC)CCC)cc2)C2CCC(C(F)(F)F)CC2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1.
What is the InChIKey of [bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium?
The InChIKey is HKUKNVQLDKPDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H111F3NP2Si4/c1-13-45-74(46-14-2,47-15-3)63-37-27-58(28-38-63)72(59-29-39-64(40-30-59)75(48-16-4,49-17-5)50-18-6)71-73(60-31-25-57(26-32-60)67(68,69)70,61-33-41-65(42-34-61)76(51-19-7,52-20-8)53-21-9)62-35-43-66(44-36-62)77(54-22-10,55-23-11)56-24-12/h27-30,33-44,57,60,71H,13-26,31-32,45-56H2,1-12H3/q+1.
What are the key properties of [bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium?
[bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium has a molecular weight of 1161.92 g/mol, XLogP of 18.87, 35 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium is sourced from PubChem (CID 170944133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).