methyl (2,3,4,6-tetraphenylphenyl) carbonate

C32H24O3 — CID 121311415

IUPACmethyl (2,3,4,6-tetraphenylphenyl) carbonate
SMILESCOC(=O)Oc1c(-c2ccccc2)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H24O3/c1-34-32(33)35-31-28(24-16-8-3-9-17-24)22-27(23-14-6-2-7-15-23)29(25-18-10-4-11-19-25)30(31)26-20-12-5-13-21-26/h2-22H,1H3
InChIKeyQAHBMCRIBOJFTE-UHFFFAOYSA-N
MW456.54 g/mol
LogP8.50
Rot. Bonds5

About methyl (2,3,4,6-tetraphenylphenyl) carbonate

methyl (2,3,4,6-tetraphenylphenyl) carbonate (PubChem CID 121311415) has the molecular formula C32H24O3 and a molecular weight of 456.54 g/mol. Its IUPAC name is methyl (2,3,4,6-tetraphenylphenyl) carbonate.

Molecular Properties

Compound Namemethyl (2,3,4,6-tetraphenylphenyl) carbonate
PubChem CID121311415
Molecular FormulaC32H24O3
Molecular Weight456.54 g/mol
Exact Mass456.17
IUPAC Namemethyl (2,3,4,6-tetraphenylphenyl) carbonate
SMILESCOC(=O)Oc1c(-c2ccccc2)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H24O3/c1-34-32(33)35-31-28(24-16-8-3-9-17-24)22-27(23-14-6-2-7-15-23)29(25-18-10-4-11-19-25)30(31)26-20-12-5-13-21-26/h2-22H,1H3
InChIKeyQAHBMCRIBOJFTE-UHFFFAOYSA-N
XLogP8.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-diphenylphenyl) methyl carbonate
CID 121292231
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
CID 20661198
methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate
CID 890999
dimethyl 3-amino-4,5-diphenylbenzene-1,2-dicarboxylate
CID 11581299
2-methoxy-5,6-dimethyl-3-phenylbenzoic acid
CID 175512460
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
methyl 2-(3,4-diphenylphenyl)propanoate
CID 139706154
3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene
CID 126747094
4-methoxy-2,5-diphenylbenzene-1,3-diol
CID 53244203

Frequently Asked Questions

What is the IUPAC name of methyl (2,3,4,6-tetraphenylphenyl) carbonate?
The IUPAC name of methyl (2,3,4,6-tetraphenylphenyl) carbonate (CID 121311415) is methyl (2,3,4,6-tetraphenylphenyl) carbonate.
What is the SMILES notation for methyl (2,3,4,6-tetraphenylphenyl) carbonate?
The canonical SMILES for methyl (2,3,4,6-tetraphenylphenyl) carbonate is COC(=O)Oc1c(-c2ccccc2)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of methyl (2,3,4,6-tetraphenylphenyl) carbonate?
The InChIKey is QAHBMCRIBOJFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O3/c1-34-32(33)35-31-28(24-16-8-3-9-17-24)22-27(23-14-6-2-7-15-23)29(25-18-10-4-11-19-25)30(31)26-20-12-5-13-21-26/h2-22H,1H3.
What are the key properties of methyl (2,3,4,6-tetraphenylphenyl) carbonate?
methyl (2,3,4,6-tetraphenylphenyl) carbonate has a molecular weight of 456.54 g/mol, XLogP of 8.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2,3,4,6-tetraphenylphenyl) carbonate is sourced from PubChem (CID 121311415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).