2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane

C26H20ClO2P — CID 59188233

IUPAC2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
SMILESClP1OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C26H20ClO2P/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
InChIKeyGIXFOJJEFBLNSY-UHFFFAOYSA-N
MW430.87 g/mol
LogP7.39
Rot. Bonds4

About 2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane

2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane (PubChem CID 59188233) has the molecular formula C26H20ClO2P and a molecular weight of 430.87 g/mol. Its IUPAC name is 2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
PubChem CID59188233
Molecular FormulaC26H20ClO2P
Molecular Weight430.87 g/mol
Exact Mass430.09
IUPAC Name2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
SMILESClP1OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C26H20ClO2P/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
InChIKeyGIXFOJJEFBLNSY-UHFFFAOYSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.87
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The IUPAC name of 2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane (CID 59188233) is 2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane.
What is the SMILES notation for 2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The canonical SMILES for 2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane is ClP1OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The InChIKey is GIXFOJJEFBLNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClO2P/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.
What are the key properties of 2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane has a molecular weight of 430.87 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane is sourced from PubChem (CID 59188233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).