diphenylphosphanyl 2,4,6-triphenylbenzoate

C37H27O2P — CID 164898462

IUPACdiphenylphosphanyl 2,4,6-triphenylbenzoate
SMILESO=C(OP(c1ccccc1)c1ccccc1)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C37H27O2P/c38-37(39-40(32-22-12-4-13-23-32)33-24-14-5-15-25-33)36-34(29-18-8-2-9-19-29)26-31(28-16-6-1-7-17-28)27-35(36)30-20-10-3-11-21-30/h1-27H
InChIKeyDCBBHCNOBKPCBL-UHFFFAOYSA-N
MW534.60 g/mol
LogP8.89
Rot. Bonds7

About diphenylphosphanyl 2,4,6-triphenylbenzoate

diphenylphosphanyl 2,4,6-triphenylbenzoate (PubChem CID 164898462) has the molecular formula C37H27O2P and a molecular weight of 534.60 g/mol. Its IUPAC name is diphenylphosphanyl 2,4,6-triphenylbenzoate.

Molecular Properties

Compound Namediphenylphosphanyl 2,4,6-triphenylbenzoate
PubChem CID164898462
Molecular FormulaC37H27O2P
Molecular Weight534.60 g/mol
Exact Mass534.17
IUPAC Namediphenylphosphanyl 2,4,6-triphenylbenzoate
SMILESO=C(OP(c1ccccc1)c1ccccc1)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C37H27O2P/c38-37(39-40(32-22-12-4-13-23-32)33-24-14-5-15-25-33)36-34(29-18-8-2-9-19-29)26-31(28-16-6-1-7-17-28)27-35(36)30-20-10-3-11-21-30/h1-27H
InChIKeyDCBBHCNOBKPCBL-UHFFFAOYSA-N
XLogP8.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.60
LogP ≤ 58.89
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 diphenylphosphanyl 2,4,6-triphenylbenzoate?
The IUPAC name of diphenylphosphanyl 2,4,6-triphenylbenzoate (CID 164898462) is diphenylphosphanyl 2,4,6-triphenylbenzoate.
What is the SMILES notation for diphenylphosphanyl 2,4,6-triphenylbenzoate?
The canonical SMILES for diphenylphosphanyl 2,4,6-triphenylbenzoate is O=C(OP(c1ccccc1)c1ccccc1)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of diphenylphosphanyl 2,4,6-triphenylbenzoate?
The InChIKey is DCBBHCNOBKPCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27O2P/c38-37(39-40(32-22-12-4-13-23-32)33-24-14-5-15-25-33)36-34(29-18-8-2-9-19-29)26-31(28-16-6-1-7-17-28)27-35(36)30-20-10-3-11-21-30/h1-27H.
What are the key properties of diphenylphosphanyl 2,4,6-triphenylbenzoate?
diphenylphosphanyl 2,4,6-triphenylbenzoate has a molecular weight of 534.60 g/mol, XLogP of 8.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl 2,4,6-triphenylbenzoate is sourced from PubChem (CID 164898462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).