(2Z,10Z)-6,14-dichloro-3,11-diphenyl-2,10-diazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene

• ChemBase ID: 179872
• Molecular Formular: C26H16Cl2N2
• Molecular Mass: 427.32464
• Monoisotopic Mass: 426.06905388
• SMILES: N1=C(c2c(N=C(c3c1ccc(c3)Cl)c1ccccc1)ccc(c2)Cl)c1ccccc1
• Canonical SMILES: Clc1ccc2c(c1)C(=Nc1c(C(=N2)c2ccccc2)cc(cc1)Cl)c1ccccc1
• InChI: InChI=1S/C26H16Cl2N2/c27-19-11-13-23-21(15-19)25(17-7-3-1-4-8-17)29-24-14-12-20(28)16-22(24)26(30-23)18-9-5-2-6-10-18/h1-16H/b25-21-,26-22-,29-24-,29-25-,30-23-,30-26-
• InChIKey: MQGFJTPZIBDFDR-JOHVSHHLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z,10Z)-6,14-dichloro-3,11-diphenyl-2,10-diazatricyclo[10.4.0.0^4,^9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene
• IUPAC Traditional name: (2Z,10Z)-6,14-dichloro-3,11-diphenyl-2,10-diazatricyclo[10.4.0.0^4,^9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene
• Synonyms: U-10293

Database IDs

• CAS Number: 3646-61-5
• PubChem SID: 164235782
• PubChem CID: 19276

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 8.450305
• LogD (pH = 7.4): 8.450313
• Log P: 8.450313
• Molar Refractivity: 128.2518 cm^3
• Polarizability: 47.167305 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Mechanism of Action: Estrogen

Product Information

• Application(s): Estrogen