methyl 2-triphenylen-2-ylbenzoate

C26H18O2 — CID 142724319

IUPACmethyl 2-triphenylen-2-ylbenzoate
SMILESCOC(=O)c1ccccc1-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C26H18O2/c1-28-26(27)24-13-7-2-8-18(24)17-14-15-23-21-11-4-3-9-19(21)20-10-5-6-12-22(20)25(23)16-17/h2-16H,1H3
InChIKeyACLVMYANIPYHCW-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.60
Rot. Bonds2

About methyl 2-triphenylen-2-ylbenzoate

methyl 2-triphenylen-2-ylbenzoate (PubChem CID 142724319) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 2-triphenylen-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-triphenylen-2-ylbenzoate
PubChem CID142724319
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Namemethyl 2-triphenylen-2-ylbenzoate
SMILESCOC(=O)c1ccccc1-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C26H18O2/c1-28-26(27)24-13-7-2-8-18(24)17-14-15-23-21-11-4-3-9-19(21)20-10-5-6-12-22(20)25(23)16-17/h2-16H,1H3
InChIKeyACLVMYANIPYHCW-UHFFFAOYSA-N
XLogP6.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-triphenylen-2-ylbenzoate?
The IUPAC name of methyl 2-triphenylen-2-ylbenzoate (CID 142724319) is methyl 2-triphenylen-2-ylbenzoate.
What is the SMILES notation for methyl 2-triphenylen-2-ylbenzoate?
The canonical SMILES for methyl 2-triphenylen-2-ylbenzoate is COC(=O)c1ccccc1-c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of methyl 2-triphenylen-2-ylbenzoate?
The InChIKey is ACLVMYANIPYHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c1-28-26(27)24-13-7-2-8-18(24)17-14-15-23-21-11-4-3-9-19(21)20-10-5-6-12-22(20)25(23)16-17/h2-16H,1H3.
What are the key properties of methyl 2-triphenylen-2-ylbenzoate?
methyl 2-triphenylen-2-ylbenzoate has a molecular weight of 362.43 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-triphenylen-2-ylbenzoate is sourced from PubChem (CID 142724319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).