[bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium

C66H109FNP2Si3+ — CID 176550936

IUPAC[bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(N[P+](c2ccc([Si](CCCC)(CCCC)CCCC)cc2)(c2ccccc2F)C2CCCCC2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C66H109FNP2Si3/c1-10-19-49-71(50-20-11-2,51-21-12-3)62-43-37-58(38-44-62)69(59-39-45-63(46-40-59)72(52-22-13-4,53-23-14-5)54-24-15-6)68-70(60-33-29-28-30-34-60,66-36-32-31-35-65(66)67)61-41-47-64(48-42-61)73(55-25-16-7,56-26-17-8)57-27-18-9/h31-32,35-48,60,68H,10-30,33-34,49-57H2,1-9H3/q+1
InChIKeyNMWUEGYMHPADEP-UHFFFAOYSA-N
MW1081.81 g/mol
LogP18.85
Rot. Bonds37

About [bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium

[bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium (PubChem CID 176550936) has the molecular formula C66H109FNP2Si3+ and a molecular weight of 1081.81 g/mol. Its IUPAC name is [bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium.

Molecular Properties

Compound Name[bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium
PubChem CID176550936
Molecular FormulaC66H109FNP2Si3+
Molecular Weight1081.81 g/mol
Exact Mass1080.73
IUPAC Name[bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(N[P+](c2ccc([Si](CCCC)(CCCC)CCCC)cc2)(c2ccccc2F)C2CCCCC2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C66H109FNP2Si3/c1-10-19-49-71(50-20-11-2,51-21-12-3)62-43-37-58(38-44-62)69(59-39-45-63(46-40-59)72(52-22-13-4,53-23-14-5)54-24-15-6)68-70(60-33-29-28-30-34-60,66-36-32-31-35-65(66)67)61-41-47-64(48-42-61)73(55-25-16-7,56-26-17-8)57-27-18-9/h31-32,35-48,60,68H,10-30,33-34,49-57H2,1-9H3/q+1
InChIKeyNMWUEGYMHPADEP-UHFFFAOYSA-N
XLogP18.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds37
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.81
LogP ≤ 518.85
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

[bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-methylsulfanylphenyl)-(4-tributylsilylphenyl)phosphanium
CID 176550914
[bis(4-tributylsilylphenyl)phosphanylamino]-bis(4-tributylsilylphenyl)-[3-(trifluoromethyl)cyclohexyl]phosphanium
CID 174058720
N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine
CID 171491210
N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tributylsilylaniline
CID 172633998
(benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium
CID 176550908
N-bis(4-tributylsilylphenyl)phosphanyl-N-bis(3-tripropylsilylphenyl)phosphanylcyclopentanamine
CID 171491143
(cyclohexylamino)-(2-methylphenyl)-[2-(2-methylphenyl)-4-tributylsilylphenyl]phosphanyl-(4-tributylsilylphenyl)phosphanium
CID 176656613
chloro-bis(4-tributylsilylphenyl)phosphane
CID 155668506
N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylpropan-2-amine
CID 171491214
CID 166445594
CID 166445594
N-bis(4-tributylsilylphenyl)phosphanyl-N-[(2-trimethylsilylphenyl)-(4-trimethylsilylphenyl)phosphanyl]butan-1-amine
CID 176550922
N,N-bis[bis(4-cyclohexylphenyl)phosphanyl]-4-tripropylsilylaniline
CID 172634044

Frequently Asked Questions

What is the IUPAC name of [bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium?
The IUPAC name of [bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium (CID 176550936) is [bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium.
What is the SMILES notation for [bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium?
The canonical SMILES for [bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium is CCCC[Si](CCCC)(CCCC)c1ccc(P(N[P+](c2ccc([Si](CCCC)(CCCC)CCCC)cc2)(c2ccccc2F)C2CCCCC2)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1.
What is the InChIKey of [bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium?
The InChIKey is NMWUEGYMHPADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H109FNP2Si3/c1-10-19-49-71(50-20-11-2,51-21-12-3)62-43-37-58(38-44-62)69(59-39-45-63(46-40-59)72(52-22-13-4,53-23-14-5)54-24-15-6)68-70(60-33-29-28-30-34-60,66-36-32-31-35-65(66)67)61-41-47-64(48-42-61)73(55-25-16-7,56-26-17-8)57-27-18-9/h31-32,35-48,60,68H,10-30,33-34,49-57H2,1-9H3/q+1.
What are the key properties of [bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium?
[bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium has a molecular weight of 1081.81 g/mol, XLogP of 18.85, 37 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(4-tributylsilylphenyl)phosphanylamino]-cyclohexyl-(2-fluorophenyl)-(4-tributylsilylphenyl)phosphanium is sourced from PubChem (CID 176550936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).