4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide

C26H20O3P+ — CID 10764148

IUPAC4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide
SMILESO=[P+]1OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C26H20O3P/c27-30-28-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(29-30,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
InChIKeyFNLJWTHRPLMQID-UHFFFAOYSA-N
MW411.42 g/mol
LogP6.58
Rot. Bonds4

About 4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide

4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide (PubChem CID 10764148) has the molecular formula C26H20O3P+ and a molecular weight of 411.42 g/mol. Its IUPAC name is 4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide.

Molecular Properties

Compound Name4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide
PubChem CID10764148
Molecular FormulaC26H20O3P+
Molecular Weight411.42 g/mol
Exact Mass411.11
IUPAC Name4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide
SMILESO=[P+]1OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C26H20O3P/c27-30-28-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(29-30,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
InChIKeyFNLJWTHRPLMQID-UHFFFAOYSA-N
XLogP6.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzopinacol
CID 94766
Phosphoric acid, (1,1'-biphenyl)-2-yl diphenyl ester
CID 67234
Tribenzyl phosphate
CID 74359
sodium bis[(2E,10Z)-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl] phosphate
CID 148466990
sodium bis[(2E)-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl] phosphate
CID 153309754
Bis(triphenylmethyl)peroxide
CID 136387
Tetrabenzyl pyrophosphate
CID 563183
Sodium bis(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl) phosphate
CID 168296529
1,2,3,4-Tetraphenylbutane-2,3-diol
CID 344369
Barium dibenzylphosphate
CID 201600
Bis(2-phenylphenyl) hydrogen phosphate
CID 18515472
2,2,5,5-Tetraphenyltetrahydrofuran
CID 570295

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide?
The IUPAC name of 4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide (CID 10764148) is 4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide.
What is the SMILES notation for 4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide?
The canonical SMILES for 4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide is O=[P+]1OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide?
The InChIKey is FNLJWTHRPLMQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O3P/c27-30-28-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(29-30,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1.
What are the key properties of 4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide?
4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide has a molecular weight of 411.42 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide is sourced from PubChem (CID 10764148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).