(1R)-7,9-diphenyl-10,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,14,16-tetraen-13-one

• ChemBase ID: 182235
• Molecular Formular: C27H24N2O
• Molecular Mass: 392.49226
• Monoisotopic Mass: 392.1888634
• SMILES: N12[C@]3(N=C4C1=CC(=O)C=C4)C(C(C=C2c1ccccc1)c1ccccc1)CCCC3
• Canonical SMILES: O=C1C=CC2=N[C@]34N(C2=C1)C(=CC(C4CCCC3)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H24N2O/c30-21-14-15-24-26(17-21)29-25(20-11-5-2-6-12-20)18-22(19-9-3-1-4-10-19)23-13-7-8-16-27(23,29)28-24/h1-6,9-12,14-15,17-18,22-23H,7-8,13,16H2/t22?,23?,27-/m0/s1
• InChIKey: LHJUMCYFYYQTPP-GMKWRKAISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-7,9-diphenyl-10,17-diazatetracyclo[8.7.0.0^1,^6.0^1^1,^1^6]heptadeca-8,11,14,16-tetraen-13-one
• IUPAC Traditional name: (1R)-7,9-diphenyl-10,17-diazatetracyclo[8.7.0.0^1,^6.0^1^1,^1^6]heptadeca-8,11,14,16-tetraen-13-one

Database IDs

• PubChem SID: 164238145
• PubChem CID: 16395395

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.265914
• LogD (pH = 7.4): 5.895685
• Log P: 5.914168
• Molar Refractivity: 123.8234 cm^3
• Polarizability: 45.959858 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds