[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene

C28H26O2 — CID 13066047

IUPAC[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
SMILESCC(C)(OOC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26O2/c1-27(2,23-15-7-3-8-16-23)29-30-28(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyHOBXOYKSOXIGFW-UHFFFAOYSA-N
MW394.51 g/mol
LogP6.86
Rot. Bonds7

About [diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene

[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene (PubChem CID 13066047) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is [diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene.

Molecular Properties

Compound Name[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
PubChem CID13066047
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
SMILESCC(C)(OOC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26O2/c1-27(2,23-15-7-3-8-16-23)29-30-28(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyHOBXOYKSOXIGFW-UHFFFAOYSA-N
XLogP6.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174507938
cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174748033
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
2-ethylperoxypropan-2-ylbenzene
CID 14923166
1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene
CID 54518129
diphenyl(2-phenylpropan-2-ylperoxy)silane
CID 173375091
zinc;bis(2-methylprop-2-enoate);2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175350674
2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene
CID 163671526
2-(2-phenylpropan-2-ylperoxy)ethanol
CID 13111058

Frequently Asked Questions

What is the IUPAC name of [diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene?
The IUPAC name of [diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene (CID 13066047) is [diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene.
What is the SMILES notation for [diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene?
The canonical SMILES for [diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene is CC(C)(OOC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene?
The InChIKey is HOBXOYKSOXIGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c1-27(2,23-15-7-3-8-16-23)29-30-28(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3.
What are the key properties of [diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene?
[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene has a molecular weight of 394.51 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene is sourced from PubChem (CID 13066047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).