4-(9H-xanthen-9-yl)-9H-xanthene

• ChemBase ID: 181187
• Molecular Formular: C26H18O2
• Molecular Mass: 362.41992
• Monoisotopic Mass: 362.13067982
• SMILES: C1(c2c3Oc4c(Cc3ccc2)cccc4)c2c(Oc3c1cccc3)cccc2
• Canonical SMILES: c1ccc2c(c1)Oc1c(C2)cccc1C1c2ccccc2Oc2c1cccc2
• InChI: InChI=1S/C26H18O2/c1-4-13-22-17(8-1)16-18-9-7-12-21(26(18)28-22)25-19-10-2-5-14-23(19)27-24-15-6-3-11-20(24)25/h1-15,25H,16H2
• InChIKey: BEERYHVOMSJLOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(9H-xanthen-9-yl)-9H-xanthene
• IUPAC Traditional name: 4-(9H-xanthen-9-yl)-9H-xanthene

Database IDs

• PubChem SID: 164237097
• PubChem CID: 4221519

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.6317396
• LogD (pH = 7.4): 6.6317396
• Log P: 6.6317396
• Molar Refractivity: 110.5416 cm^3
• Polarizability: 42.707172 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds