diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone

C37H27OP — CID 141124682

IUPACdiphenylphosphanyl-(2,4,6-triphenylphenyl)methanone
SMILESO=C(c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H27OP/c38-37(39(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
InChIKeyWXEGOKQOEHWEJV-UHFFFAOYSA-N
MW518.60 g/mol
LogP8.96
Rot. Bonds7

About diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone

diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone (PubChem CID 141124682) has the molecular formula C37H27OP and a molecular weight of 518.60 g/mol. Its IUPAC name is diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone.

Molecular Properties

Compound Namediphenylphosphanyl-(2,4,6-triphenylphenyl)methanone
PubChem CID141124682
Molecular FormulaC37H27OP
Molecular Weight518.60 g/mol
Exact Mass518.18
IUPAC Namediphenylphosphanyl-(2,4,6-triphenylphenyl)methanone
SMILESO=C(c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H27OP/c38-37(39(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
InChIKeyWXEGOKQOEHWEJV-UHFFFAOYSA-N
XLogP8.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.60
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphanyl 2,4,6-triphenylbenzoate
CID 164898462
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
2-(2-hydroxyphenyl)-1-(2,4,6-triphenylphenyl)ethanone
CID 175023207
bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)
CID 173130885
[2-methyl-6-(4-methylphenyl)-4-phenylphenyl]-phenylmethanone
CID 2825389
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
4-(2,3,5-triphenylphenyl)benzoic acid
CID 101126682
[3,5-bis(chloromethyl)-2,4,6-trimethylphenyl]-diphenylphosphanylmethanone
CID 135303084
2-fluoro-1,3,5-triphenylbenzene
CID 146653815
1,3-bis(diphenylphosphanyl)propane-1,3-dione
CID 13144216
2-(2-hydroxy-4,6-diphenylphenyl)-3,5-diphenylphenol
CID 19797768

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone?
The IUPAC name of diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone (CID 141124682) is diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone.
What is the SMILES notation for diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone?
The canonical SMILES for diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone is O=C(c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone?
The InChIKey is WXEGOKQOEHWEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27OP/c38-37(39(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-triphenylphenyl)methanone?
diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone has a molecular weight of 518.60 g/mol, XLogP of 8.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone is sourced from PubChem (CID 141124682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).