phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide

C35H47BrOP2Si — CID 174764282

IUPACphosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide
SMILESCC(C)[Si](OCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(C(C)C)C(C)C.P.[Br-]
InChIInChI=1S/C35H44OPSi.BrH.H3P/c1-28(2)38(29(3)4,30(5)6)36-26-31-22-24-32(25-23-31)27-37(33-16-10-7-11-17-33,34-18-12-8-13-19-34)35-20-14-9-15-21-35;;/h7-25,28-30H,26-27H2,1-6H3;1H;1H3/q+1;;/p-1
InChIKeyVMQJOQIRGPVSKY-UHFFFAOYSA-M
MW653.70 g/mol
LogP5.93
Rot. Bonds11

About phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide

phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide (PubChem CID 174764282) has the molecular formula C35H47BrOP2Si and a molecular weight of 653.70 g/mol. Its IUPAC name is phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide.

Molecular Properties

Compound Namephosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide
PubChem CID174764282
Molecular FormulaC35H47BrOP2Si
Molecular Weight653.70 g/mol
Exact Mass652.21
IUPAC Namephosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide
SMILESCC(C)[Si](OCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(C(C)C)C(C)C.P.[Br-]
InChIInChI=1S/C35H44OPSi.BrH.H3P/c1-28(2)38(29(3)4,30(5)6)36-26-31-22-24-32(25-23-31)27-37(33-16-10-7-11-17-33,34-18-12-8-13-19-34)35-20-14-9-15-21-35;;/h7-25,28-30H,26-27H2,1-6H3;1H;1H3/q+1;;/p-1
InChIKeyVMQJOQIRGPVSKY-UHFFFAOYSA-M
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.70
LogP ≤ 55.93
H-Bond Donors ≤ 50
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

benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanol
CID 10732586
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
(4-ethoxyphenyl)methyl-triphenylphosphanium bromide
CID 2724470
benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide
CID 18000285
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
CID 10393091
[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium
CID 132542561
(4-nonylphenyl)methyl-triphenylphosphanium
CID 21284846
(4-ethoxyphenyl)methyl-triphenylphosphanium;dihydrochloride
CID 174834857
2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 91315511

Frequently Asked Questions

What is the IUPAC name of phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide?
The IUPAC name of phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide (CID 174764282) is phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide.
What is the SMILES notation for phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide?
The canonical SMILES for phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide is CC(C)[Si](OCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(C(C)C)C(C)C.P.[Br-].
What is the InChIKey of phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide?
The InChIKey is VMQJOQIRGPVSKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H44OPSi.BrH.H3P/c1-28(2)38(29(3)4,30(5)6)36-26-31-22-24-32(25-23-31)27-37(33-16-10-7-11-17-33,34-18-12-8-13-19-34)35-20-14-9-15-21-35;;/h7-25,28-30H,26-27H2,1-6H3;1H;1H3/q+1;;/p-1.
What are the key properties of phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide?
phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide has a molecular weight of 653.70 g/mol, XLogP of 5.93, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide is sourced from PubChem (CID 174764282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).