(4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate

C22H10Cl4O3 — CID 57151183

IUPAC(4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate
SMILESO=C(OC(=O)c1ccc(Cl)c2c(Cl)cccc12)c1ccc(Cl)c2c(Cl)cccc12
InChIInChI=1S/C22H10Cl4O3/c23-15-5-1-3-11-13(7-9-17(25)19(11)15)21(27)29-22(28)14-8-10-18(26)20-12(14)4-2-6-16(20)24/h1-10H
InChIKeyNFLFDNVCHQPMTO-UHFFFAOYSA-N
MW464.13 g/mol
LogP7.60
Rot. Bonds2

About (4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate

(4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate (PubChem CID 57151183) has the molecular formula C22H10Cl4O3 and a molecular weight of 464.13 g/mol. Its IUPAC name is (4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate.

Molecular Properties

Compound Name(4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate
PubChem CID57151183
Molecular FormulaC22H10Cl4O3
Molecular Weight464.13 g/mol
Exact Mass461.94
IUPAC Name(4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate
SMILESO=C(OC(=O)c1ccc(Cl)c2c(Cl)cccc12)c1ccc(Cl)c2c(Cl)cccc12
InChIInChI=1S/C22H10Cl4O3/c23-15-5-1-3-11-13(7-9-17(25)19(11)15)21(27)29-22(28)14-8-10-18(26)20-12(14)4-2-6-16(20)24/h1-10H
InChIKeyNFLFDNVCHQPMTO-UHFFFAOYSA-N
XLogP7.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.13
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate?
The IUPAC name of (4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate (CID 57151183) is (4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate.
What is the SMILES notation for (4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate?
The canonical SMILES for (4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate is O=C(OC(=O)c1ccc(Cl)c2c(Cl)cccc12)c1ccc(Cl)c2c(Cl)cccc12.
What is the InChIKey of (4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate?
The InChIKey is NFLFDNVCHQPMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10Cl4O3/c23-15-5-1-3-11-13(7-9-17(25)19(11)15)21(27)29-22(28)14-8-10-18(26)20-12(14)4-2-6-16(20)24/h1-10H.
What are the key properties of (4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate?
(4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate has a molecular weight of 464.13 g/mol, XLogP of 7.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloronaphthalene-1-carbonyl) 4,5-dichloronaphthalene-1-carboxylate is sourced from PubChem (CID 57151183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).