bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium

C28H26OPSi2+ — CID 175408349

IUPACbis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium
SMILESC[Si]1(C)c2ccccc2-c2ccc([P+](=O)c3ccc4c(c3)[Si](C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C28H26OPSi2/c1-31(2)25-11-7-5-9-21(25)23-15-13-19(17-27(23)31)30(29)20-14-16-24-22-10-6-8-12-26(22)32(3,4)28(24)18-20/h5-18H,1-4H3/q+1
InChIKeyNDGXMGXPPWUVKE-UHFFFAOYSA-N
MW465.66 g/mol
LogP4.07
Rot. Bonds2

About bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium

bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium (PubChem CID 175408349) has the molecular formula C28H26OPSi2+ and a molecular weight of 465.66 g/mol. Its IUPAC name is bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium.

Molecular Properties

Compound Namebis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium
PubChem CID175408349
Molecular FormulaC28H26OPSi2+
Molecular Weight465.66 g/mol
Exact Mass465.13
IUPAC Namebis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium
SMILESC[Si]1(C)c2ccccc2-c2ccc([P+](=O)c3ccc4c(c3)[Si](C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C28H26OPSi2/c1-31(2)25-11-7-5-9-21(25)23-15-13-19(17-27(23)31)30(29)20-14-16-24-22-10-6-8-12-26(22)32(3,4)28(24)18-20/h5-18H,1-4H3/q+1
InChIKeyNDGXMGXPPWUVKE-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 54.07
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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Frequently Asked Questions

What is the IUPAC name of bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium?
The IUPAC name of bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium (CID 175408349) is bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium.
What is the SMILES notation for bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium?
The canonical SMILES for bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium is C[Si]1(C)c2ccccc2-c2ccc([P+](=O)c3ccc4c(c3)[Si](C)(C)c3ccccc3-4)cc21.
What is the InChIKey of bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium?
The InChIKey is NDGXMGXPPWUVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26OPSi2/c1-31(2)25-11-7-5-9-21(25)23-15-13-19(17-27(23)31)30(29)20-14-16-24-22-10-6-8-12-26(22)32(3,4)28(24)18-20/h5-18H,1-4H3/q+1.
What are the key properties of bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium?
bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium has a molecular weight of 465.66 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium is sourced from PubChem (CID 175408349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).