diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide

C62H56Br2P2Si — CID 173305835

IUPACdiphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide
SMILESBr.Cc1ccc(P(c2ccccc2)(c2ccccc2)(c2ccccc2)[SiH](c2ccccc2)c2ccccc2)cc1.Cc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C37H33PSi.C25H22P.2BrH/c1-31-27-29-35(30-28-31)38(32-17-7-2-8-18-32,33-19-9-3-10-20-33,34-21-11-4-12-22-34)39(36-23-13-5-14-24-36)37-25-15-6-16-26-37;1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;;/h2-30,39H,1H3;2-20H,1H3;2*1H/q;+1;;/p-1
InChIKeyISBSDOJFYDFHJR-UHFFFAOYSA-M
MW1050.97 g/mol
LogP7.88
Rot. Bonds11

About diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide

diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide (PubChem CID 173305835) has the molecular formula C62H56Br2P2Si and a molecular weight of 1050.97 g/mol. Its IUPAC name is diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide.

Molecular Properties

Compound Namediphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide
PubChem CID173305835
Molecular FormulaC62H56Br2P2Si
Molecular Weight1050.97 g/mol
Exact Mass1048.20
IUPAC Namediphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide
SMILESBr.Cc1ccc(P(c2ccccc2)(c2ccccc2)(c2ccccc2)[SiH](c2ccccc2)c2ccccc2)cc1.Cc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C37H33PSi.C25H22P.2BrH/c1-31-27-29-35(30-28-31)38(32-17-7-2-8-18-32,33-19-9-3-10-20-33,34-21-11-4-12-22-34)39(36-23-13-5-14-24-36)37-25-15-6-16-26-37;1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;;/h2-30,39H,1H3;2-20H,1H3;2*1H/q;+1;;/p-1
InChIKeyISBSDOJFYDFHJR-UHFFFAOYSA-M
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.97
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(4-methylphenyl)phosphanium bromide
CID 18356132
[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium
CID 58231993
tetrakis(4-methylphenyl)phosphanium;tetraphenylboranuide
CID 87662093
triphenyl-(4-propan-2-ylphenyl)phosphanium chloride
CID 157172125
dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane
CID 100926580
palladium;tetraphenylphosphanium
CID 76575044
tris(tetrakis(4-methylphenyl)phosphanium);borate
CID 160602527
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
(4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium
CID 139250642
[(4-methylphenyl)-triphenylphosphaniumylmethyl]-triphenylphosphanium
CID 18785079
benzene;bis(1,4-xylene)
CID 159472747
(2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium
CID 142276677

Frequently Asked Questions

What is the IUPAC name of diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide?
The IUPAC name of diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide (CID 173305835) is diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide.
What is the SMILES notation for diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide?
The canonical SMILES for diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide is Br.Cc1ccc(P(c2ccccc2)(c2ccccc2)(c2ccccc2)[SiH](c2ccccc2)c2ccccc2)cc1.Cc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-].
What is the InChIKey of diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide?
The InChIKey is ISBSDOJFYDFHJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C37H33PSi.C25H22P.2BrH/c1-31-27-29-35(30-28-31)38(32-17-7-2-8-18-32,33-19-9-3-10-20-33,34-21-11-4-12-22-34)39(36-23-13-5-14-24-36)37-25-15-6-16-26-37;1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;;/h2-30,39H,1H3;2-20H,1H3;2*1H/q;+1;;/p-1.
What are the key properties of diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide?
diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide has a molecular weight of 1050.97 g/mol, XLogP of 7.88, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide is sourced from PubChem (CID 173305835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).