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

C79H135F3NP2Si4+ — CID 174058720

IUPAC[bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(N[P+](c2ccc([Si](CCCC)(CCCC)CCCC)cc2)(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)C2CCCC(C(F)(F)F)C2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C79H135F3NP2Si4/c1-13-25-56-86(57-26-14-2,58-27-15-3)75-48-40-70(41-49-75)84(71-42-50-76(51-43-71)87(59-28-16-4,60-29-17-5)61-30-18-6)83-85(74-39-37-38-69(68-74)79(80,81)82,72-44-52-77(53-45-72)88(62-31-19-7,63-32-20-8)64-33-21-9)73-46-54-78(55-47-73)89(65-34-22-10,66-35-23-11)67-36-24-12/h40-55,69,74,83H,13-39,56-68H2,1-12H3/q+1
InChIKeyHBKLOIAGUUISBJ-UHFFFAOYSA-N
MW1330.24 g/mol
LogP23.55
Rot. Bonds47

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

[bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium (PubChem CID 174058720) has the molecular formula C79H135F3NP2Si4+ and a molecular weight of 1330.24 g/mol. Its IUPAC name is [bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium.

Molecular Properties

Compound Name[bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium
PubChem CID174058720
Molecular FormulaC79H135F3NP2Si4+
Molecular Weight1330.24 g/mol
Exact Mass1328.91
IUPAC Name[bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(N[P+](c2ccc([Si](CCCC)(CCCC)CCCC)cc2)(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)C2CCCC(C(F)(F)F)C2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C79H135F3NP2Si4/c1-13-25-56-86(57-26-14-2,58-27-15-3)75-48-40-70(41-49-75)84(71-42-50-76(51-43-71)87(59-28-16-4,60-29-17-5)61-30-18-6)83-85(74-39-37-38-69(68-74)79(80,81)82,72-44-52-77(53-45-72)88(62-31-19-7,63-32-20-8)64-33-21-9)73-46-54-78(55-47-73)89(65-34-22-10,66-35-23-11)67-36-24-12/h40-55,69,74,83H,13-39,56-68H2,1-12H3/q+1
InChIKeyHBKLOIAGUUISBJ-UHFFFAOYSA-N
XLogP23.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds47
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001330.24
LogP ≤ 523.55
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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Related Compounds

Azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide
CID 45253915
Methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane
CID 54125250
[1-(4-Fluorobutyl)-1-phenylsilinan-4-yl]methyl-iodo-triphenyl-lambda5-phosphane
CID 140404877
2-[Dimethyl-(3-methylphenyl)silyl]ethyl-dimethyl-[3-(trifluoromethyl)phenyl]silane;trimethyl-[2-(trifluoromethyl)phenyl]silane;trimethyl-[3-(trifluoromethyl)phenyl]silane;trimethyl-[4-(trifluoromethyl)phenyl]silane
CID 158071795
[2-[[Dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium
CID 163568302
N,N-bis[bis(4-tributylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 169187851
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 169187861
N,N-bis[bis(4-tripropylsilylphenyl)phosphanyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 169187865
[Bis(4-tripropylsilylphenyl)phosphanylamino]-[3-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium
CID 170944130
[Bis(4-tripropylsilylphenyl)phosphanylamino]-[4-(trifluoromethyl)cyclohexyl]-bis(4-tripropylsilylphenyl)phosphanium
CID 170944133
1-[2-[Bis(4-tributylsilylphenyl)phosphanylamino]phosphanyl-1-(4-tributylsilylphenyl)-3-(trifluoromethyl)cyclohexyl]-4-tributylsilylbenzene
CID 170944134
N-bis(4-tributylsilylphenyl)phosphanyl-N-[phenyl-[2-(trifluoromethyl)phenyl]phosphanyl]cyclohexanamine
CID 172355346

Frequently Asked Questions

What is the IUPAC name of [bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium?
The IUPAC name of [bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium (CID 174058720) is [bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium.
What is the SMILES notation for [bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium?
The canonical SMILES for [bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium is CCCC[Si](CCCC)(CCCC)c1ccc(P(N[P+](c2ccc([Si](CCCC)(CCCC)CCCC)cc2)(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)C2CCCC(C(F)(F)F)C2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1.
What is the InChIKey of [bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium?
The InChIKey is HBKLOIAGUUISBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H135F3NP2Si4/c1-13-25-56-86(57-26-14-2,58-27-15-3)75-48-40-70(41-49-75)84(71-42-50-76(51-43-71)87(59-28-16-4,60-29-17-5)61-30-18-6)83-85(74-39-37-38-69(68-74)79(80,81)82,72-44-52-77(53-45-72)88(62-31-19-7,63-32-20-8)64-33-21-9)73-46-54-78(55-47-73)89(65-34-22-10,66-35-23-11)67-36-24-12/h40-55,69,74,83H,13-39,56-68H2,1-12H3/q+1.
What are the key properties of [bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium?
[bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium has a molecular weight of 1330.24 g/mol, XLogP of 23.55, 47 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium is sourced from PubChem (CID 174058720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).