phosphanyl 2,3,4,5-tetraphenylbenzoate

C31H23O2P — CID 141485205

IUPACphosphanyl 2,3,4,5-tetraphenylbenzoate
SMILESO=C(OP)c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C31H23O2P/c32-31(33-34)27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23)30(25-19-11-4-12-20-25)29(27)24-17-9-3-10-18-24/h1-21H,34H2
InChIKeyJDGUFCNHQRRNII-UHFFFAOYSA-N
MW458.50 g/mol
LogP8.30
Rot. Bonds5

About phosphanyl 2,3,4,5-tetraphenylbenzoate

phosphanyl 2,3,4,5-tetraphenylbenzoate (PubChem CID 141485205) has the molecular formula C31H23O2P and a molecular weight of 458.50 g/mol. Its IUPAC name is phosphanyl 2,3,4,5-tetraphenylbenzoate.

Molecular Properties

Compound Namephosphanyl 2,3,4,5-tetraphenylbenzoate
PubChem CID141485205
Molecular FormulaC31H23O2P
Molecular Weight458.50 g/mol
Exact Mass458.14
IUPAC Namephosphanyl 2,3,4,5-tetraphenylbenzoate
SMILESO=C(OP)c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C31H23O2P/c32-31(33-34)27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23)30(25-19-11-4-12-20-25)29(27)24-17-9-3-10-18-24/h1-21H,34H2
InChIKeyJDGUFCNHQRRNII-UHFFFAOYSA-N
XLogP8.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 58.30
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 phosphanyl 2,3,4,5-tetraphenylbenzoate?
The IUPAC name of phosphanyl 2,3,4,5-tetraphenylbenzoate (CID 141485205) is phosphanyl 2,3,4,5-tetraphenylbenzoate.
What is the SMILES notation for phosphanyl 2,3,4,5-tetraphenylbenzoate?
The canonical SMILES for phosphanyl 2,3,4,5-tetraphenylbenzoate is O=C(OP)c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of phosphanyl 2,3,4,5-tetraphenylbenzoate?
The InChIKey is JDGUFCNHQRRNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23O2P/c32-31(33-34)27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23)30(25-19-11-4-12-20-25)29(27)24-17-9-3-10-18-24/h1-21H,34H2.
What are the key properties of phosphanyl 2,3,4,5-tetraphenylbenzoate?
phosphanyl 2,3,4,5-tetraphenylbenzoate has a molecular weight of 458.50 g/mol, XLogP of 8.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2,3,4,5-tetraphenylbenzoate is sourced from PubChem (CID 141485205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).