bis[2-(2-tritylphenyl)phenyl] carbonate

C63H46O3 — CID 66925236

IUPACbis[2-(2-tritylphenyl)phenyl] carbonate
SMILESO=C(Oc1ccccc1-c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccccc1-c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C63H46O3/c64-61(65-59-45-25-21-41-55(59)53-39-19-23-43-57(53)62(47-27-7-1-8-28-47,48-29-9-2-10-30-48)49-31-11-3-12-32-49)66-60-46-26-22-42-56(60)54-40-20-24-44-58(54)63(50-33-13-4-14-34-50,51-35-15-5-16-36-51)52-37-17-6-18-38-52/h1-46H
InChIKeyAEJNLXFWNYZCKT-UHFFFAOYSA-N
MW851.06 g/mol
LogP15.36
Rot. Bonds12

About bis[2-(2-tritylphenyl)phenyl] carbonate

bis[2-(2-tritylphenyl)phenyl] carbonate (PubChem CID 66925236) has the molecular formula C63H46O3 and a molecular weight of 851.06 g/mol. Its IUPAC name is bis[2-(2-tritylphenyl)phenyl] carbonate.

Molecular Properties

Compound Namebis[2-(2-tritylphenyl)phenyl] carbonate
PubChem CID66925236
Molecular FormulaC63H46O3
Molecular Weight851.06 g/mol
Exact Mass850.34
IUPAC Namebis[2-(2-tritylphenyl)phenyl] carbonate
SMILESO=C(Oc1ccccc1-c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccccc1-c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C63H46O3/c64-61(65-59-45-25-21-41-55(59)53-39-19-23-43-57(53)62(47-27-7-1-8-28-47,48-29-9-2-10-30-48)49-31-11-3-12-32-49)66-60-46-26-22-42-56(60)54-40-20-24-44-58(54)63(50-33-13-4-14-34-50,51-35-15-5-16-36-51)52-37-17-6-18-38-52/h1-46H
InChIKeyAEJNLXFWNYZCKT-UHFFFAOYSA-N
XLogP15.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.06
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate
CID 66629129
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
(2-tritylphenyl) dihydrogen phosphite
CID 175343429
(2-phenyl-3-tritylphenyl) hydrogen carbonate
CID 66925239
[3-(2-tert-butylphenyl)-2-methylphenyl] hydrogen carbonate
CID 151172342
bis[2-(2-methylphenyl)phenyl] oxalate
CID 70127324
(2-phenylphenyl) thiophene-2-carboxylate
CID 922979
CID 175980360
CID 175980360
2-hydroxy-3-tritylbenzoic acid
CID 19779155
[2-[2-acetyloxy-6-(trifluoromethyl)phenyl]phenyl] acetate
CID 135057575
[2-(2-hydroxyphenyl)phenyl] benzoate
CID 14400054
cyclopentyl (2-phenylphenyl) carbonate
CID 121311469

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-tritylphenyl)phenyl] carbonate?
The IUPAC name of bis[2-(2-tritylphenyl)phenyl] carbonate (CID 66925236) is bis[2-(2-tritylphenyl)phenyl] carbonate.
What is the SMILES notation for bis[2-(2-tritylphenyl)phenyl] carbonate?
The canonical SMILES for bis[2-(2-tritylphenyl)phenyl] carbonate is O=C(Oc1ccccc1-c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccccc1-c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis[2-(2-tritylphenyl)phenyl] carbonate?
The InChIKey is AEJNLXFWNYZCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46O3/c64-61(65-59-45-25-21-41-55(59)53-39-19-23-43-57(53)62(47-27-7-1-8-28-47,48-29-9-2-10-30-48)49-31-11-3-12-32-49)66-60-46-26-22-42-56(60)54-40-20-24-44-58(54)63(50-33-13-4-14-34-50,51-35-15-5-16-36-51)52-37-17-6-18-38-52/h1-46H.
What are the key properties of bis[2-(2-tritylphenyl)phenyl] carbonate?
bis[2-(2-tritylphenyl)phenyl] carbonate has a molecular weight of 851.06 g/mol, XLogP of 15.36, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-tritylphenyl)phenyl] carbonate is sourced from PubChem (CID 66925236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).