1,2-dinaphthalen-2-ylethane-1,2-dione

C22H14O2 — CID 3274712

IUPAC1,2-dinaphthalen-2-ylethane-1,2-dione
SMILESO=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChIKeyCUUMQBIJNWGQLU-UHFFFAOYSA-N
MW310.35 g/mol
LogP5.06
Rot. Bonds3

About 1,2-dinaphthalen-2-ylethane-1,2-dione

1,2-dinaphthalen-2-ylethane-1,2-dione (PubChem CID 3274712) has the molecular formula C22H14O2 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1,2-dinaphthalen-2-ylethane-1,2-dione.

Molecular Properties

Compound Name1,2-dinaphthalen-2-ylethane-1,2-dione
PubChem CID3274712
Molecular FormulaC22H14O2
Molecular Weight310.35 g/mol
Exact Mass310.10
IUPAC Name1,2-dinaphthalen-2-ylethane-1,2-dione
SMILESO=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChIKeyCUUMQBIJNWGQLU-UHFFFAOYSA-N
XLogP5.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dinaphthalen-2-ylethane-1,2-dione?
The IUPAC name of 1,2-dinaphthalen-2-ylethane-1,2-dione (CID 3274712) is 1,2-dinaphthalen-2-ylethane-1,2-dione.
What is the SMILES notation for 1,2-dinaphthalen-2-ylethane-1,2-dione?
The canonical SMILES for 1,2-dinaphthalen-2-ylethane-1,2-dione is O=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 1,2-dinaphthalen-2-ylethane-1,2-dione?
The InChIKey is CUUMQBIJNWGQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H.
What are the key properties of 1,2-dinaphthalen-2-ylethane-1,2-dione?
1,2-dinaphthalen-2-ylethane-1,2-dione has a molecular weight of 310.35 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dinaphthalen-2-ylethane-1,2-dione is sourced from PubChem (CID 3274712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).