9-(9-ethyl-9H-carbazol-3-yl)-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 205567
• Molecular Formular: C31H24N2O3
• Molecular Mass: 472.53386
• Monoisotopic Mass: 472.17869264
• SMILES: c12c3CN(c4cc5c(n(c6c5cccc6)CC)cc4)COc3ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccccc1
• InChI: InChI=1S/C31H24N2O3/c1-2-33-27-11-7-6-10-22(27)25-16-21(12-14-28(25)33)32-18-26-29(35-19-32)15-13-23-24(17-30(34)36-31(23)26)20-8-4-3-5-9-20/h3-17H,2,18-19H2,1H3
• InChIKey: VRXNIDOSXJPSMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(9-ethyl-9H-carbazol-3-yl)-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(9-ethylcarbazol-3-yl)-4-phenyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164261477
• PubChem CID: 1773690

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.528104
• LogD (pH = 7.4): 6.528104
• Log P: 6.528104
• Molar Refractivity: 150.5057 cm^3
• Polarizability: 56.039658 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds