3-(9-ethyl-9H-carbazol-3-yl)-12-methyl-2,3,4,6,7,8,9,10-octahydro-1,11-dioxa-3-azatetraphen-10-one

• ChemBase ID: 205723
• Molecular Formular: C30H28N2O3
• Molecular Mass: 464.55492
• Monoisotopic Mass: 464.20999277
• SMILES: c12c(c3c(c(=O)o1)CCCC3)cc1c(c2C)OCN(C1)c1cc2c(n(c3c2cccc3)CC)cc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCCC2
• InChI: InChI=1S/C30H28N2O3/c1-3-32-26-11-7-6-9-22(26)24-15-20(12-13-27(24)32)31-16-19-14-25-21-8-4-5-10-23(21)30(33)35-29(25)18(2)28(19)34-17-31/h6-7,9,11-15H,3-5,8,10,16-17H2,1-2H3
• InChIKey: VBNKNPFFEQQDSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(9-ethyl-9H-carbazol-3-yl)-12-methyl-2,3,4,6,7,8,9,10-octahydro-1,11-dioxa-3-azatetraphen-10-one
• IUPAC Traditional name: 3-(9-ethylcarbazol-3-yl)-12-methyl-2,4,6,7,8,9-hexahydro-1,11-dioxa-3-azatetraphen-10-one

Database IDs

• PubChem SID: 164261633
• PubChem CID: 1774669

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.728683
• LogD (pH = 7.4): 6.728683
• Log P: 6.728683
• Molar Refractivity: 138.0331 cm^3
• Polarizability: 54.826283 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