3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde

C23H14O3 — CID 91127405

IUPAC3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde
SMILESO=Cc1cc(C(=O)c2cc(C=O)c3ccccc3c2)cc2ccccc12
InChIInChI=1S/C23H14O3/c24-13-19-11-17(9-15-5-1-3-7-21(15)19)23(26)18-10-16-6-2-4-8-22(16)20(12-18)14-25/h1-14H
InChIKeyUJOKAUBZIMPQEL-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.85
Rot. Bonds4

About 3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde

3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde (PubChem CID 91127405) has the molecular formula C23H14O3 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde
PubChem CID91127405
Molecular FormulaC23H14O3
Molecular Weight338.36 g/mol
Exact Mass338.09
IUPAC Name3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde
SMILESO=Cc1cc(C(=O)c2cc(C=O)c3ccccc3c2)cc2ccccc12
InChIInChI=1S/C23H14O3/c24-13-19-11-17(9-15-5-1-3-7-21(15)19)23(26)18-10-16-6-2-4-8-22(16)20(12-18)14-25/h1-14H
InChIKeyUJOKAUBZIMPQEL-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde?
The IUPAC name of 3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde (CID 91127405) is 3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde is O=Cc1cc(C(=O)c2cc(C=O)c3ccccc3c2)cc2ccccc12.
What is the InChIKey of 3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde?
The InChIKey is UJOKAUBZIMPQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O3/c24-13-19-11-17(9-15-5-1-3-7-21(15)19)23(26)18-10-16-6-2-4-8-22(16)20(12-18)14-25/h1-14H.
What are the key properties of 3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde?
3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde has a molecular weight of 338.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 91127405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).