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

C44H42O2P2 — CID 161445922

IUPACdiphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(c2ccccc2)c2ccccc2)c(C)c1.Cc1cc(C)c(C(=O)P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/2C22H21OP/c2*1-16-14-17(2)21(18(3)15-16)22(23)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h2*4-15H,1-3H3
InChIKeyVZWSFRSDSFFQPF-UHFFFAOYSA-N
MW664.77 g/mol
LogP9.77
Rot. Bonds8

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

diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone (PubChem CID 161445922) has the molecular formula C44H42O2P2 and a molecular weight of 664.77 g/mol. Its IUPAC name is diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Namediphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
PubChem CID161445922
Molecular FormulaC44H42O2P2
Molecular Weight664.77 g/mol
Exact Mass664.27
IUPAC Namediphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(c2ccccc2)c2ccccc2)c(C)c1.Cc1cc(C)c(C(=O)P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/2C22H21OP/c2*1-16-14-17(2)21(18(3)15-16)22(23)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h2*4-15H,1-3H3
InChIKeyVZWSFRSDSFFQPF-UHFFFAOYSA-N
XLogP9.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 154266689
[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium
CID 160631618
(2-diphenylphosphanylcarbonyl-3,5-dimethylphenyl)methyl prop-2-enoate
CID 144597456
[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 59218785
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
CID 69491265
diphenylphosphanyl-(2,4,6-triethylphenyl)methanone
CID 141148656
[3,5-bis(chloromethyl)-2,4,6-trimethylphenyl]-diphenylphosphanylmethanone
CID 135303084
(2,6-dimethoxyphenyl)-diphenylphosphanylmethanone;hydrate
CID 172856957
diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone
CID 141124682
[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone
CID 141016646

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone (CID 161445922) is diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(c2ccccc2)c2ccccc2)c(C)c1.Cc1cc(C)c(C(=O)P(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is VZWSFRSDSFFQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21OP/c2*1-16-14-17(2)21(18(3)15-16)22(23)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h2*4-15H,1-3H3.
What are the key properties of diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone?
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 664.77 g/mol, XLogP of 9.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 161445922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).