1,3-dinaphthalen-1-ylpropane-1,2,3-trione

C23H14O3 — CID 67892351

IUPAC1,3-dinaphthalen-1-ylpropane-1,2,3-trione
SMILESO=C(C(=O)c1cccc2ccccc12)C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H14O3/c24-21(19-13-5-9-15-7-1-3-11-17(15)19)23(26)22(25)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyDKUHKQQUVCGGDC-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.63
Rot. Bonds4

About 1,3-dinaphthalen-1-ylpropane-1,2,3-trione

1,3-dinaphthalen-1-ylpropane-1,2,3-trione (PubChem CID 67892351) has the molecular formula C23H14O3 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1,3-dinaphthalen-1-ylpropane-1,2,3-trione.

Molecular Properties

Compound Name1,3-dinaphthalen-1-ylpropane-1,2,3-trione
PubChem CID67892351
Molecular FormulaC23H14O3
Molecular Weight338.36 g/mol
Exact Mass338.09
IUPAC Name1,3-dinaphthalen-1-ylpropane-1,2,3-trione
SMILESO=C(C(=O)c1cccc2ccccc12)C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H14O3/c24-21(19-13-5-9-15-7-1-3-11-17(15)19)23(26)22(25)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyDKUHKQQUVCGGDC-UHFFFAOYSA-N
XLogP4.63
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-ylbutane-1,2-dione
CID 139265593
1-naphthalen-1-ylpentane-1,2-dione
CID 69248581
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
naphthalene-1-carbonyl iodide
CID 87393513
sodium naphthalene-1-carbothioate
CID 134872711
CID 129133768
CID 129133768
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
2-hydroxyimino-1-naphthalen-1-ylethanone
CID 72672439
2-oxo-2-phenanthren-1-ylacetic acid
CID 87124350
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
1,4-dinaphthalen-1-ylheptane-1,2,3-trione
CID 141348033
1,8-dinaphthalen-1-yloctane-1,2,8-trione
CID 140639946

Frequently Asked Questions

What is the IUPAC name of 1,3-dinaphthalen-1-ylpropane-1,2,3-trione?
The IUPAC name of 1,3-dinaphthalen-1-ylpropane-1,2,3-trione (CID 67892351) is 1,3-dinaphthalen-1-ylpropane-1,2,3-trione.
What is the SMILES notation for 1,3-dinaphthalen-1-ylpropane-1,2,3-trione?
The canonical SMILES for 1,3-dinaphthalen-1-ylpropane-1,2,3-trione is O=C(C(=O)c1cccc2ccccc12)C(=O)c1cccc2ccccc12.
What is the InChIKey of 1,3-dinaphthalen-1-ylpropane-1,2,3-trione?
The InChIKey is DKUHKQQUVCGGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O3/c24-21(19-13-5-9-15-7-1-3-11-17(15)19)23(26)22(25)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H.
What are the key properties of 1,3-dinaphthalen-1-ylpropane-1,2,3-trione?
1,3-dinaphthalen-1-ylpropane-1,2,3-trione has a molecular weight of 338.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dinaphthalen-1-ylpropane-1,2,3-trione is sourced from PubChem (CID 67892351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).