2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione

C24H16O2 — CID 57046928

IUPAC2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(c2cc(-c3ccccc3)ccc2-c2ccccc2)=C1
InChIInChI=1S/C24H16O2/c25-20-12-14-24(26)23(16-20)22-15-19(17-7-3-1-4-8-17)11-13-21(22)18-9-5-2-6-10-18/h1-16H
InChIKeyWHSDLBYVMAPECP-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.11
Rot. Bonds3

About 2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione

2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 57046928) has the molecular formula C24H16O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID57046928
Molecular FormulaC24H16O2
Molecular Weight336.39 g/mol
Exact Mass336.12
IUPAC Name2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(c2cc(-c3ccccc3)ccc2-c2ccccc2)=C1
InChIInChI=1S/C24H16O2/c25-20-12-14-24(26)23(16-20)22-15-19(17-7-3-1-4-8-17)11-13-21(22)18-9-5-2-6-10-18/h1-16H
InChIKeyWHSDLBYVMAPECP-UHFFFAOYSA-N
XLogP5.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione (CID 57046928) is 2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione is O=C1C=CC(=O)C(c2cc(-c3ccccc3)ccc2-c2ccccc2)=C1.
What is the InChIKey of 2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is WHSDLBYVMAPECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O2/c25-20-12-14-24(26)23(16-20)22-15-19(17-7-3-1-4-8-17)11-13-21(22)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione?
2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 336.39 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 57046928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).