4-(9-ethyl-9H-carbazol-3-yl)-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one

• ChemBase ID: 207575
• Molecular Formular: C28H24N2O3
• Molecular Mass: 436.50176
• Monoisotopic Mass: 436.17869264
• SMILES: c12c3CN(c4cc5c(n(c6c5cccc6)CC)cc4)COc3ccc2c2c(c(=O)o1)CCC2
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)c1oc(=O)c3c(c1cc2)CCC3
• InChI: InChI=1S/C28H24N2O3/c1-2-30-24-9-4-3-6-19(24)22-14-17(10-12-25(22)30)29-15-23-26(32-16-29)13-11-20-18-7-5-8-21(18)28(31)33-27(20)23/h3-4,6,9-14H,2,5,7-8,15-16H2,1H3
• InChIKey: OGXHZNGFUPERBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(9-ethyl-9H-carbazol-3-yl)-6,17-dioxa-4-azatetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1,7,9,11(15)-tetraen-16-one
• IUPAC Traditional name: 4-(9-ethylcarbazol-3-yl)-6,17-dioxa-4-azatetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1,7,9,11(15)-tetraen-16-one

Database IDs

• PubChem SID: 164263485
• PubChem CID: 1780141

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.7706933
• LogD (pH = 7.4): 5.7706933
• Log P: 5.7706933
• Molar Refractivity: 128.3909 cm^3
• Polarizability: 51.211487 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds