oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium

C90H138O3PSi2+ — CID 87716483

IUPACoxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium
SMILESCCCCCCCCCc1ccc([Si](O[P+](=O)O[Si](c2ccc(CCCCCCCCC)cc2)(c2ccc(CCCCCCCCC)cc2)c2ccc(CCCCCCCCC)cc2)(c2ccc(CCCCCCCCC)cc2)c2ccc(CCCCCCCCC)cc2)cc1
InChIInChI=1S/C90H138O3PSi2/c1-7-13-19-25-31-37-43-49-79-55-67-85(68-56-79)95(86-69-57-80(58-70-86)50-44-38-32-26-20-14-8-2,87-71-59-81(60-72-87)51-45-39-33-27-21-15-9-3)92-94(91)93-96(88-73-61-82(62-74-88)52-46-40-34-28-22-16-10-4,89-75-63-83(64-76-89)53-47-41-35-29-23-17-11-5)90-77-65-84(66-78-90)54-48-42-36-30-24-18-12-6/h55-78H,7-54H2,1-6H3/q+1
InChIKeyGGNPKYYKDYHNAQ-UHFFFAOYSA-N
MW1355.24 g/mol
LogP24.77
Rot. Bonds58

About oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium

oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium (PubChem CID 87716483) has the molecular formula C90H138O3PSi2+ and a molecular weight of 1355.24 g/mol. Its IUPAC name is oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium.

Molecular Properties

Compound Nameoxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium
PubChem CID87716483
Molecular FormulaC90H138O3PSi2+
Molecular Weight1355.24 g/mol
Exact Mass1353.99
IUPAC Nameoxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium
SMILESCCCCCCCCCc1ccc([Si](O[P+](=O)O[Si](c2ccc(CCCCCCCCC)cc2)(c2ccc(CCCCCCCCC)cc2)c2ccc(CCCCCCCCC)cc2)(c2ccc(CCCCCCCCC)cc2)c2ccc(CCCCCCCCC)cc2)cc1
InChIInChI=1S/C90H138O3PSi2/c1-7-13-19-25-31-37-43-49-79-55-67-85(68-56-79)95(86-69-57-80(58-70-86)50-44-38-32-26-20-14-8-2,87-71-59-81(60-72-87)51-45-39-33-27-21-15-9-3)92-94(91)93-96(88-73-61-82(62-74-88)52-46-40-34-28-22-16-10-4,89-75-63-83(64-76-89)53-47-41-35-29-23-17-11-5)90-77-65-84(66-78-90)54-48-42-36-30-24-18-12-6/h55-78H,7-54H2,1-6H3/q+1
InChIKeyGGNPKYYKDYHNAQ-UHFFFAOYSA-N
XLogP24.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds58
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001355.24
LogP ≤ 524.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 154488983
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CID 11052746

Frequently Asked Questions

What is the IUPAC name of oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium?
The IUPAC name of oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium (CID 87716483) is oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium.
What is the SMILES notation for oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium?
The canonical SMILES for oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium is CCCCCCCCCc1ccc([Si](O[P+](=O)O[Si](c2ccc(CCCCCCCCC)cc2)(c2ccc(CCCCCCCCC)cc2)c2ccc(CCCCCCCCC)cc2)(c2ccc(CCCCCCCCC)cc2)c2ccc(CCCCCCCCC)cc2)cc1.
What is the InChIKey of oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium?
The InChIKey is GGNPKYYKDYHNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H138O3PSi2/c1-7-13-19-25-31-37-43-49-79-55-67-85(68-56-79)95(86-69-57-80(58-70-86)50-44-38-32-26-20-14-8-2,87-71-59-81(60-72-87)51-45-39-33-27-21-15-9-3)92-94(91)93-96(88-73-61-82(62-74-88)52-46-40-34-28-22-16-10-4,89-75-63-83(64-76-89)53-47-41-35-29-23-17-11-5)90-77-65-84(66-78-90)54-48-42-36-30-24-18-12-6/h55-78H,7-54H2,1-6H3/q+1.
What are the key properties of oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium?
oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium has a molecular weight of 1355.24 g/mol, XLogP of 24.77, 58 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium is sourced from PubChem (CID 87716483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).