[2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite

C40H43O3P — CID 58388390

IUPAC[2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite
SMILESCOP(Oc1ccc(C(C)(C)c2ccccc2)cc1)Oc1ccc(C(C)(C)c2ccccc2)cc1C(C)(C)c1ccccc1
InChIInChI=1S/C40H43O3P/c1-38(2,30-17-11-8-12-18-30)33-23-26-35(27-24-33)42-44(41-7)43-37-28-25-34(39(3,4)31-19-13-9-14-20-31)29-36(37)40(5,6)32-21-15-10-16-22-32/h8-29H,1-7H3
InChIKeyUTKIQBZOMVHTHY-UHFFFAOYSA-N
MW602.76 g/mol
LogP11.00
Rot. Bonds11

About [2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite

[2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite (PubChem CID 58388390) has the molecular formula C40H43O3P and a molecular weight of 602.76 g/mol. Its IUPAC name is [2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite.

Molecular Properties

Compound Name[2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite
PubChem CID58388390
Molecular FormulaC40H43O3P
Molecular Weight602.76 g/mol
Exact Mass602.29
IUPAC Name[2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite
SMILESCOP(Oc1ccc(C(C)(C)c2ccccc2)cc1)Oc1ccc(C(C)(C)c2ccccc2)cc1C(C)(C)c1ccccc1
InChIInChI=1S/C40H43O3P/c1-38(2,30-17-11-8-12-18-30)33-23-26-35(27-24-33)42-44(41-7)43-37-28-25-34(39(3,4)31-19-13-9-14-20-31)29-36(37)40(5,6)32-21-15-10-16-22-32/h8-29H,1-7H3
InChIKeyUTKIQBZOMVHTHY-UHFFFAOYSA-N
XLogP11.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.76
LogP ≤ 511.00
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

bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-tert-butylphosphane
CID 162462392
tetrakis(2,4-bis(2-phenylpropan-2-yl)phenolate);titanium(4+)
CID 22395010
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraza-3,9-diphosphaspiro[5.5]undecane
CID 141356478
(4-tert-butylphenyl) diphenyl phosphite
CID 19796180
3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol
CID 139938730
(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane
CID 90750737
2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride
CID 2757944
[4-[2-[2-acetyloxy-5-[2-[4-acetyloxy-3-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl] acetate
CID 102067968
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
5-[[2,4-bis(2-phenylpropan-2-yl)phenoxy]methyl]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one
CID 163582770
2-phenylpropan-2-ylbenzene
CID 13065
[4-(benzenesulfonyl)phenyl] bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 15218832

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite?
The IUPAC name of [2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite (CID 58388390) is [2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite.
What is the SMILES notation for [2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite?
The canonical SMILES for [2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite is COP(Oc1ccc(C(C)(C)c2ccccc2)cc1)Oc1ccc(C(C)(C)c2ccccc2)cc1C(C)(C)c1ccccc1.
What is the InChIKey of [2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite?
The InChIKey is UTKIQBZOMVHTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43O3P/c1-38(2,30-17-11-8-12-18-30)33-23-26-35(27-24-33)42-44(41-7)43-37-28-25-34(39(3,4)31-19-13-9-14-20-31)29-36(37)40(5,6)32-21-15-10-16-22-32/h8-29H,1-7H3.
What are the key properties of [2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite?
[2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite has a molecular weight of 602.76 g/mol, XLogP of 11.00, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite is sourced from PubChem (CID 58388390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).