12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene

• ChemBase ID: 127100
• Molecular Formular: C20H10O2
• Molecular Mass: 282.2922
• Monoisotopic Mass: 282.06807956
• SMILES: o1c2cccc3c2c2c4c1ccc1c4c(oc2cc3)ccc1
• Canonical SMILES: c1cc2ccc3c4c2c(c1)oc1c4c2c(o3)cccc2cc1
• InChI: InChI=1S/C20H10O2/c1-3-11-7-9-16-19-17(11)13(5-1)21-15-10-8-12-4-2-6-14(22-16)18(12)20(15)19/h1-10H
• InChIKey: AMDQVKPUZIXQFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12,22-dioxahexacyclo[11.7.1.1^4,^2^0.0^2,^1^1.0^3,^8.0^1^7,^2^1]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene
• IUPAC Systematic name: xantheno[2,1,9,8-klmna]xanthene
• IUPAC Traditional name: dinaphthylene dioxide
• Synonyms: Dinaphthalene dioxide; peri-Xanthenoxanthene; NSC47493; Dinaphthylene dioxide

Database IDs

• CAS Number: 191-28-6
• PubChem SID: 162221423
• PubChem CID: 240798
• Chemspider ID: 210417
• Wikipedia Title: Dinaphthylene_dioxide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6609764
• LogD (pH = 7.4): 4.6609764
• Log P: 4.6609764
• Molar Refractivity: 84.1598 cm^3
• Polarizability: 38.70495 Å^3
• Polar Surface Area: 26.28 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true