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

C26H21O2P — CID 174790779

IUPAC2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane
SMILESc1ccc(C2OP(c3ccccc3)OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H21O2P/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)28-29(27-25)24-19-11-4-12-20-24/h1-20,25H
InChIKeyBLUYBORKDOCLAC-UHFFFAOYSA-N
MW396.43 g/mol
LogP6.36
Rot. Bonds4

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

2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane (PubChem CID 174790779) has the molecular formula C26H21O2P and a molecular weight of 396.43 g/mol. Its IUPAC name is 2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane
PubChem CID174790779
Molecular FormulaC26H21O2P
Molecular Weight396.43 g/mol
Exact Mass396.13
IUPAC Name2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane
SMILESc1ccc(C2OP(c3ccccc3)OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H21O2P/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)28-29(27-25)24-19-11-4-12-20-24/h1-20,25H
InChIKeyBLUYBORKDOCLAC-UHFFFAOYSA-N
XLogP6.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 56.36
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 2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane?
The IUPAC name of 2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane (CID 174790779) is 2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane.
What is the SMILES notation for 2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane?
The canonical SMILES for 2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane is c1ccc(C2OP(c3ccccc3)OC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane?
The InChIKey is BLUYBORKDOCLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21O2P/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)28-29(27-25)24-19-11-4-12-20-24/h1-20,25H.
What are the key properties of 2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane?
2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane has a molecular weight of 396.43 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane is sourced from PubChem (CID 174790779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).