15-phenyl-8,17-dioxa-20-azapentacyclo[7.7.4.01,20.02,7.09,14]icosa-2(7),3,5-triene

• ChemBase ID: 184118
• Molecular Formular: C23H25NO2
• Molecular Mass: 347.4501
• Monoisotopic Mass: 347.18852905
• SMILES: C123N(C4(Oc5c1cccc5)C(C(C2)c1ccccc1)CCCC4)CCO3
• Canonical SMILES: c1ccc(cc1)C1CC23OCCN3C3(C1CCCC3)Oc1c2cccc1
• InChI: InChI=1S/C23H25NO2/c1-2-8-17(9-3-1)18-16-23-20-11-4-5-12-21(20)26-22(24(23)14-15-25-23)13-7-6-10-19(18)22/h1-5,8-9,11-12,18-19H,6-7,10,13-16H2
• InChIKey: KMZWVRIIHGSMOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 15-phenyl-8,17-dioxa-20-azapentacyclo[7.7.4.0^1,^2^0.0^2,^7.0^9,^1^4]icosa-2(7),3,5-triene
• IUPAC Traditional name: 15-phenyl-8,17-dioxa-20-azapentacyclo[7.7.4.0^1,^2^0.0^2,^7.0^9,^1^4]icosa-2(7),3,5-triene

Database IDs

• PubChem SID: 164240028
• PubChem CID: 5149889

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.330516
• LogD (pH = 7.4): 5.410772
• Log P: 5.4118977
• Molar Refractivity: 101.4644 cm^3
• Polarizability: 40.08879 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Conformers
• Classification: Rare Derivatives of Natural Compounds