[bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium

C67H111F3NP2Si4+ — CID 170944130

IUPAC[bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(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)C2CCCC(C(F)(F)F)C2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1
InChIInChI=1S/C67H111F3NP2Si4/c1-13-44-74(45-14-2,46-15-3)63-36-28-58(29-37-63)72(59-30-38-64(39-31-59)75(47-16-4,48-17-5)49-18-6)71-73(62-27-25-26-57(56-62)67(68,69)70,60-32-40-65(41-33-60)76(50-19-7,51-20-8)52-21-9)61-34-42-66(43-35-61)77(53-22-10,54-23-11)55-24-12/h28-43,57,62,71H,13-27,44-56H2,1-12H3/q+1
InChIKeyQFGIEOWMKKUJEP-UHFFFAOYSA-N
MW1161.92 g/mol
LogP18.87
Rot. Bonds35

About [bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium

[bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium (PubChem CID 170944130) has the molecular formula C67H111F3NP2Si4+ and a molecular weight of 1161.92 g/mol. Its IUPAC name is [bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium.

Molecular Properties

Compound Name[bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium
PubChem CID170944130
Molecular FormulaC67H111F3NP2Si4+
Molecular Weight1161.92 g/mol
Exact Mass1160.72
IUPAC Name[bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(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)C2CCCC(C(F)(F)F)C2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1
InChIInChI=1S/C67H111F3NP2Si4/c1-13-44-74(45-14-2,46-15-3)63-36-28-58(29-37-63)72(59-30-38-64(39-31-59)75(47-16-4,48-17-5)49-18-6)71-73(62-27-25-26-57(56-62)67(68,69)70,60-32-40-65(41-33-60)76(50-19-7,51-20-8)52-21-9)61-34-42-66(43-35-61)77(53-22-10,54-23-11)55-24-12/h28-43,57,62,71H,13-27,44-56H2,1-12H3/q+1
InChIKeyQFGIEOWMKKUJEP-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]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium?
The IUPAC name of [bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium (CID 170944130) is [bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium.
What is the SMILES notation for [bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium?
The canonical SMILES for [bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(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)C2CCCC(C(F)(F)F)C2)c2ccc([Si](CCC)(CCC)CCC)cc2)cc1.
What is the InChIKey of [bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium?
The InChIKey is QFGIEOWMKKUJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H111F3NP2Si4/c1-13-44-74(45-14-2,46-15-3)63-36-28-58(29-37-63)72(59-30-38-64(39-31-59)75(47-16-4,48-17-5)49-18-6)71-73(62-27-25-26-57(56-62)67(68,69)70,60-32-40-65(41-33-60)76(50-19-7,51-20-8)52-21-9)61-34-42-66(43-35-61)77(53-22-10,54-23-11)55-24-12/h28-43,57,62,71H,13-27,44-56H2,1-12H3/q+1.
What are the key properties of [bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium?
[bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(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]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium is sourced from PubChem (CID 170944130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).