6-(9-ethyl-9H-carbazol-3-yl)-2-methyl-4,17-dioxa-6-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15)-tetraen-16-one

• ChemBase ID: 207613
• Molecular Formular: C29H26N2O3
• Molecular Mass: 450.52834
• Monoisotopic Mass: 450.1943427
• SMILES: c12c(c3c(c(=O)o1)CCC3)cc1c(c2C)OCN(C1)c1cc2c(n(c3c2cccc3)CC)cc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2
• InChI: InChI=1S/C29H26N2O3/c1-3-31-25-10-5-4-7-21(25)23-14-19(11-12-26(23)31)30-15-18-13-24-20-8-6-9-22(20)29(32)34-28(24)17(2)27(18)33-16-30/h4-5,7,10-14H,3,6,8-9,15-16H2,1-2H3
• InChIKey: QQNHPDIODOBPCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(9-ethyl-9H-carbazol-3-yl)-2-methyl-4,17-dioxa-6-azatetracyclo[8.7.0.0^3,^8.0^1^1,^1^5]heptadeca-1,3(8),9,11(15)-tetraen-16-one
• IUPAC Traditional name: 6-(9-ethylcarbazol-3-yl)-2-methyl-4,17-dioxa-6-azatetracyclo[8.7.0.0^3,^8.0^1^1,^1^5]heptadeca-1,3(8),9,11(15)-tetraen-16-one

Database IDs

• PubChem SID: 164263523
• PubChem CID: 1780380

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.2841144
• LogD (pH = 7.4): 6.2841144
• Log P: 6.2841144
• Molar Refractivity: 133.4321 cm^3
• Polarizability: 52.979824 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