tetracene-5,12-dicarbaldehyde

• ChemBase ID: 76464
• Molecular Formular: C20H12O2
• Molecular Mass: 284.30808
• Monoisotopic Mass: 284.08372962
• SMILES: O=Cc1c2cc3c(cc2c(c2ccccc12)C=O)cccc3
• Canonical SMILES: O=Cc1c2cc3ccccc3cc2c(c2c1cccc2)C=O
• InChI: InChI=1S/C20H12O2/c21-11-19-15-7-3-4-8-16(15)20(12-22)18-10-14-6-2-1-5-13(14)9-17(18)19/h1-12H
• InChIKey: RXDJVBXMOZKSHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetracene-5,12-dicarbaldehyde
• IUPAC Traditional name: tetracene-5,12-dicarbaldehyde
• Synonyms: Naphthacene-5,12-dicarboxaldehyde

Database IDs

• CAS Number: 71440-79-4
• MDL Number: MFCD06796309
• PubChem SID: 162041368
• PubChem CID: 17750326

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3666806
• LogD (pH = 7.4): 4.3666806
• Log P: 4.3666806
• Molar Refractivity: 88.5766 cm^3
• Polarizability: 36.93391 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true