4-(9-ethyl-9H-carbazol-3-yl)-6,18-dioxa-4-azatetracyclo[8.8.0.02,7.011,16]octadeca-1,7,9,11,13,15-hexaen-17-one

• ChemBase ID: 207554
• Molecular Formular: C29H22N2O3
• Molecular Mass: 446.49658
• Monoisotopic Mass: 446.16304257
• SMILES: c12c3CN(c4cc5c(n(c6c5cccc6)CC)cc4)COc3ccc2c2c(c(=O)o1)cccc2
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)c1oc(=O)c3c(c1cc2)cccc3
• InChI: InChI=1S/C29H22N2O3/c1-2-31-25-10-6-5-8-20(25)23-15-18(11-13-26(23)31)30-16-24-27(33-17-30)14-12-21-19-7-3-4-9-22(19)29(32)34-28(21)24/h3-15H,2,16-17H2,1H3
• InChIKey: JHVJHUVRBNBQPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(9-ethyl-9H-carbazol-3-yl)-6,18-dioxa-4-azatetracyclo[8.8.0.0^2,^7.0^1^1,^1^6]octadeca-1,7,9,11,13,15-hexaen-17-one
• IUPAC Traditional name: 4-(9-ethylcarbazol-3-yl)-6,18-dioxa-4-azatetracyclo[8.8.0.0^2,^7.0^1^1,^1^6]octadeca-1,7,9,11,13,15-hexaen-17-one

Database IDs

• PubChem SID: 164263464
• PubChem CID: 1780089

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.236873
• LogD (pH = 7.4): 6.236873
• Log P: 6.236873
• Molar Refractivity: 132.3435 cm^3
• Polarizability: 53.905876 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