5,12-dihydrotetracene

• ChemBase ID: 106863
• Molecular Formular: C18H14
• Molecular Mass: 230.30376
• Monoisotopic Mass: 230.10955045
• SMILES: C1c2ccccc2Cc2cc3c(cccc3)cc12
• Canonical SMILES: c1ccc2c(c1)Cc1c(C2)cc2c(c1)cccc2
• InChI: InChI=1S/C18H14/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-10H,11-12H2
• InChIKey: WSXODQAKLVVOCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,12-dihydrotetracene
• IUPAC Traditional name: 5,12-dihydrotetracene
• Synonyms: 5,12-DIHYDROTETRACENE

Database IDs

• CAS Number: 959-02-4
• PubChem SID: 162089095
• PubChem CID: 96862

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1730647
• LogD (pH = 7.4): 5.1730647
• Log P: 5.1730647
• Molar Refractivity: 75.9246 cm^3
• Polarizability: 30.460285 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05201675

MP Biomedicals Rare Chemical collection