(4-phenylphenyl) 4-phenylbenzoate

C25H18O2 — CID 2237898

IUPAC(4-phenylphenyl) 4-phenylbenzoate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H18O2/c26-25(23-13-11-21(12-14-23)19-7-3-1-4-8-19)27-24-17-15-22(16-18-24)20-9-5-2-6-10-20/h1-18H
InChIKeyCKTWFFUWJXTHAY-UHFFFAOYSA-N
MW350.42 g/mol
LogP6.24
Rot. Bonds4

About (4-phenylphenyl) 4-phenylbenzoate

(4-phenylphenyl) 4-phenylbenzoate (PubChem CID 2237898) has the molecular formula C25H18O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (4-phenylphenyl) 4-phenylbenzoate.

Molecular Properties

Compound Name(4-phenylphenyl) 4-phenylbenzoate
PubChem CID2237898
Molecular FormulaC25H18O2
Molecular Weight350.42 g/mol
Exact Mass350.13
IUPAC Name(4-phenylphenyl) 4-phenylbenzoate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H18O2/c26-25(23-13-11-21(12-14-23)19-7-3-1-4-8-19)27-24-17-15-22(16-18-24)20-9-5-2-6-10-20/h1-18H
InChIKeyCKTWFFUWJXTHAY-UHFFFAOYSA-N
XLogP6.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 4-phenylbenzoate?
The IUPAC name of (4-phenylphenyl) 4-phenylbenzoate (CID 2237898) is (4-phenylphenyl) 4-phenylbenzoate.
What is the SMILES notation for (4-phenylphenyl) 4-phenylbenzoate?
The canonical SMILES for (4-phenylphenyl) 4-phenylbenzoate is O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl) 4-phenylbenzoate?
The InChIKey is CKTWFFUWJXTHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O2/c26-25(23-13-11-21(12-14-23)19-7-3-1-4-8-19)27-24-17-15-22(16-18-24)20-9-5-2-6-10-20/h1-18H.
What are the key properties of (4-phenylphenyl) 4-phenylbenzoate?
(4-phenylphenyl) 4-phenylbenzoate has a molecular weight of 350.42 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 4-phenylbenzoate is sourced from PubChem (CID 2237898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).