hexacene

• ChemBase ID: 127672
• Molecular Formular: C26H16
• Molecular Mass: 328.40524
• Monoisotopic Mass: 328.12520051
• SMILES: c1ccc2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2c1
• Canonical SMILES: c1ccc2c(c1)cc1c(c2)cc2c(c1)cc1c(c2)cc2c(c1)cccc2
• InChI: InChI=1S/C26H16/c1-2-6-18-10-22-14-26-16-24-12-20-8-4-3-7-19(20)11-23(24)15-25(26)13-21(22)9-17(18)5-1/h1-16H
• InChIKey: QSQIGGCOCHABAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexacene
• IUPAC Traditional name: hexacene
• Synonyms: Hexacene

Database IDs

• CAS Number: 258-31-1
• PubChem SID: 162221990
• PubChem CID: 123044
• Chemspider ID: 109666
• Wikipedia Title: Hexacene

CALCULATED PROPERTIES

• Log P: 6.9206295
• Molar Refractivity: 108.309 cm^3
• Polarizability: 48.886635 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.9206295
• LogD (pH = 7.4): 6.9206295