(2-phenyl-3-tritylphenyl) hydrogen carbonate

C32H24O3 — CID 66925239

IUPAC(2-phenyl-3-tritylphenyl) hydrogen carbonate
SMILESO=C(O)Oc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H24O3/c33-31(34)35-29-23-13-22-28(30(29)24-14-5-1-6-15-24)32(25-16-7-2-8-17-25,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H,(H,33,34)
InChIKeyGBTSZCDIIXOTON-UHFFFAOYSA-N
MW456.54 g/mol
LogP7.79
Rot. Bonds6

About (2-phenyl-3-tritylphenyl) hydrogen carbonate

(2-phenyl-3-tritylphenyl) hydrogen carbonate (PubChem CID 66925239) has the molecular formula C32H24O3 and a molecular weight of 456.54 g/mol. Its IUPAC name is (2-phenyl-3-tritylphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-phenyl-3-tritylphenyl) hydrogen carbonate
PubChem CID66925239
Molecular FormulaC32H24O3
Molecular Weight456.54 g/mol
Exact Mass456.17
IUPAC Name(2-phenyl-3-tritylphenyl) hydrogen carbonate
SMILESO=C(O)Oc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H24O3/c33-31(34)35-29-23-13-22-28(30(29)24-14-5-1-6-15-24)32(25-16-7-2-8-17-25,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H,(H,33,34)
InChIKeyGBTSZCDIIXOTON-UHFFFAOYSA-N
XLogP7.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2-phenylphenyl) hydrogen carbonate
CID 54141570
(3,4-ditert-butyl-2-phenylphenyl) hydrogen carbonate
CID 66925147
[2-(3-tert-butylphenyl)-3-methylphenyl] hydrogen carbonate
CID 150763593
bis[2-(2-tritylphenyl)phenyl] carbonate
CID 66925236
biphenylen-1-yl hydrogen carbonate
CID 174719796
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
(2-tritylphenyl) dihydrogen phosphite
CID 175343429
2-carboxyoxy-6-hydroxybenzoic acid
CID 18430416
(3-pentadecyl-2-phenylphenyl) hydrogen carbonate
CID 151877848
[3-(2-tert-butylphenyl)-2-methylphenyl] hydrogen carbonate
CID 151172342
methyl 2-(2-tert-butylphenyl)-3-carboxyoxybenzoate
CID 67766878
[3-methyl-2-(2-phenylpropan-2-yl)phenyl] hydrogen carbonate
CID 18407704

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3-tritylphenyl) hydrogen carbonate?
The IUPAC name of (2-phenyl-3-tritylphenyl) hydrogen carbonate (CID 66925239) is (2-phenyl-3-tritylphenyl) hydrogen carbonate.
What is the SMILES notation for (2-phenyl-3-tritylphenyl) hydrogen carbonate?
The canonical SMILES for (2-phenyl-3-tritylphenyl) hydrogen carbonate is O=C(O)Oc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (2-phenyl-3-tritylphenyl) hydrogen carbonate?
The InChIKey is GBTSZCDIIXOTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O3/c33-31(34)35-29-23-13-22-28(30(29)24-14-5-1-6-15-24)32(25-16-7-2-8-17-25,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H,(H,33,34).
What are the key properties of (2-phenyl-3-tritylphenyl) hydrogen carbonate?
(2-phenyl-3-tritylphenyl) hydrogen carbonate has a molecular weight of 456.54 g/mol, XLogP of 7.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3-tritylphenyl) hydrogen carbonate is sourced from PubChem (CID 66925239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).