diphenyl (2,4,6-trimethylphenyl) phosphite

C21H21O3P — CID 23454654

IUPACdiphenyl (2,4,6-trimethylphenyl) phosphite
SMILESCc1cc(C)c(OP(Oc2ccccc2)Oc2ccccc2)c(C)c1
InChIInChI=1S/C21H21O3P/c1-16-14-17(2)21(18(3)15-16)24-25(22-19-10-6-4-7-11-19)23-20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyNCZOOHUDCMKTJA-UHFFFAOYSA-N
MW352.37 g/mol
LogP6.38
Rot. Bonds6

About diphenyl (2,4,6-trimethylphenyl) phosphite

diphenyl (2,4,6-trimethylphenyl) phosphite (PubChem CID 23454654) has the molecular formula C21H21O3P and a molecular weight of 352.37 g/mol. Its IUPAC name is diphenyl (2,4,6-trimethylphenyl) phosphite.

Molecular Properties

Compound Namediphenyl (2,4,6-trimethylphenyl) phosphite
PubChem CID23454654
Molecular FormulaC21H21O3P
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Namediphenyl (2,4,6-trimethylphenyl) phosphite
SMILESCc1cc(C)c(OP(Oc2ccccc2)Oc2ccccc2)c(C)c1
InChIInChI=1S/C21H21O3P/c1-16-14-17(2)21(18(3)15-16)24-25(22-19-10-6-4-7-11-19)23-20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyNCZOOHUDCMKTJA-UHFFFAOYSA-N
XLogP6.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.37
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
[4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite
CID 88850568
phosphane;tris(4-methylphenyl) phosphite
CID 174494653
phenylphosphane;tris(4-methylphenyl) phosphite
CID 174790413
(2,6-ditert-butylphenyl) diphenyl phosphite
CID 86014872
carbon monoxide;manganese;bis(triphenyl phosphite)
CID 135047588
lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite
CID 160891413
(3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite
CID 138739365
(4-tert-butylphenyl) diphenyl phosphite
CID 19796180
[2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite
CID 142925485
triphenyl phosphite sulfite
CID 22067374

Frequently Asked Questions

What is the IUPAC name of diphenyl (2,4,6-trimethylphenyl) phosphite?
The IUPAC name of diphenyl (2,4,6-trimethylphenyl) phosphite (CID 23454654) is diphenyl (2,4,6-trimethylphenyl) phosphite.
What is the SMILES notation for diphenyl (2,4,6-trimethylphenyl) phosphite?
The canonical SMILES for diphenyl (2,4,6-trimethylphenyl) phosphite is Cc1cc(C)c(OP(Oc2ccccc2)Oc2ccccc2)c(C)c1.
What is the InChIKey of diphenyl (2,4,6-trimethylphenyl) phosphite?
The InChIKey is NCZOOHUDCMKTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O3P/c1-16-14-17(2)21(18(3)15-16)24-25(22-19-10-6-4-7-11-19)23-20-12-8-5-9-13-20/h4-15H,1-3H3.
What are the key properties of diphenyl (2,4,6-trimethylphenyl) phosphite?
diphenyl (2,4,6-trimethylphenyl) phosphite has a molecular weight of 352.37 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl (2,4,6-trimethylphenyl) phosphite is sourced from PubChem (CID 23454654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).