3-(2,2-diphenylethyl)-12-methyl-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one

• ChemBase ID: 206431
• Molecular Formular: C30H25NO3
• Molecular Mass: 447.5244
• Monoisotopic Mass: 447.18344367
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)OCN(C1)CC(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1c2OCN(Cc2cc2c1oc(=O)c1c2cccc1)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H25NO3/c1-20-28-23(16-26-24-14-8-9-15-25(24)30(32)34-29(20)26)17-31(19-33-28)18-27(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-16,27H,17-19H2,1H3
• InChIKey: OYAXVMWBBUPMDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,2-diphenylethyl)-12-methyl-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one
• IUPAC Traditional name: 3-(2,2-diphenylethyl)-12-methyl-2,4-dihydro-1,11-dioxa-3-azatetraphen-10-one

Database IDs

• PubChem SID: 164262341
• PubChem CID: 1775530

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.3814383
• LogD (pH = 7.4): 6.6677604
• Log P: 6.672961
• Molar Refractivity: 133.7609 cm^3
• Polarizability: 52.897545 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds