(benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium

C68H105F3NP2SSi3+ — CID 176550908

IUPAC(benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)[P+](NCc2ccccc2)(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)c2ccccc2SC(F)(F)F)cc1
InChIInChI=1S/C68H105F3NP2SSi3/c1-10-19-49-76(50-20-11-2,51-21-12-3)63-43-37-60(38-44-63)73(61-39-45-64(46-40-61)77(52-22-13-4,53-23-14-5)54-24-15-6)74(72-58-59-33-29-28-30-34-59,66-35-31-32-36-67(66)75-68(69,70)71)62-41-47-65(48-42-62)78(55-25-16-7,56-26-17-8)57-27-18-9/h28-48,72H,10-27,49-58H2,1-9H3/q+1
InChIKeyKYLHMNGGVDGGDB-UHFFFAOYSA-N
MW1171.86 g/mol
LogP20.19
Rot. Bonds39

About (benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium

(benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium (PubChem CID 176550908) has the molecular formula C68H105F3NP2SSi3+ and a molecular weight of 1171.86 g/mol. Its IUPAC name is (benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium.

Molecular Properties

Compound Name(benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium
PubChem CID176550908
Molecular FormulaC68H105F3NP2SSi3+
Molecular Weight1171.86 g/mol
Exact Mass1170.67
IUPAC Name(benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)[P+](NCc2ccccc2)(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)c2ccccc2SC(F)(F)F)cc1
InChIInChI=1S/C68H105F3NP2SSi3/c1-10-19-49-76(50-20-11-2,51-21-12-3)63-43-37-60(38-44-63)73(61-39-45-64(46-40-61)77(52-22-13-4,53-23-14-5)54-24-15-6)74(72-58-59-33-29-28-30-34-59,66-35-31-32-36-67(66)75-68(69,70)71)62-41-47-65(48-42-62)78(55-25-16-7,56-26-17-8)57-27-18-9/h28-48,72H,10-27,49-58H2,1-9H3/q+1
InChIKeyKYLHMNGGVDGGDB-UHFFFAOYSA-N
XLogP20.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds39
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.86
LogP ≤ 520.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium?
The IUPAC name of (benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium (CID 176550908) is (benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium.
What is the SMILES notation for (benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium?
The canonical SMILES for (benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium is CCCC[Si](CCCC)(CCCC)c1ccc(P(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)[P+](NCc2ccccc2)(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)c2ccccc2SC(F)(F)F)cc1.
What is the InChIKey of (benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium?
The InChIKey is KYLHMNGGVDGGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H105F3NP2SSi3/c1-10-19-49-76(50-20-11-2,51-21-12-3)63-43-37-60(38-44-63)73(61-39-45-64(46-40-61)77(52-22-13-4,53-23-14-5)54-24-15-6)74(72-58-59-33-29-28-30-34-59,66-35-31-32-36-67(66)75-68(69,70)71)62-41-47-65(48-42-62)78(55-25-16-7,56-26-17-8)57-27-18-9/h28-48,72H,10-27,49-58H2,1-9H3/q+1.
What are the key properties of (benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium?
(benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium has a molecular weight of 1171.86 g/mol, XLogP of 20.19, 39 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (benzylamino)-bis(4-tributylsilylphenyl)phosphanyl-(4-tributylsilylphenyl)-[2-(trifluoromethylsulfanyl)phenyl]phosphanium is sourced from PubChem (CID 176550908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).