2'-ethoxy-4,4-dimethyl-2-methylidene-1,2,4,9-tetrahydrospiro[carbazole-3,3'-indole]

• ChemBase ID: 197465
• Molecular Formular: C24H24N2O
• Molecular Mass: 356.46016
• Monoisotopic Mass: 356.1888634
• SMILES: C12(C(c3c([nH]c4c3cccc4)CC1=C)(C)C)C(=Nc1c2cccc1)OCC
• Canonical SMILES: CCOC1=Nc2c(C31C(=C)Cc1c(C3(C)C)c3ccccc3[nH]1)cccc2
• InChI: InChI=1S/C24H24N2O/c1-5-27-22-24(17-11-7-9-13-19(17)26-22)15(2)14-20-21(23(24,3)4)16-10-6-8-12-18(16)25-20/h6-13,25H,2,5,14H2,1,3-4H3
• InChIKey: YLEIUSMPLLXION-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2'-ethoxy-4,4-dimethyl-2-methylidene-1,2,4,9-tetrahydrospiro[carbazole-3,3'-indole]
• IUPAC Traditional name: 2'-ethoxy-4,4-dimethyl-2-methylidene-1,9-dihydrospiro[carbazole-3,3'-indole]

Database IDs

• PubChem SID: 164253375
• PubChem CID: 4313231

CALCULATED PROPERTIES

• Acid pKa: 15.546753
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.38548
• LogD (pH = 7.4): 5.3855057
• Log P: 5.385506
• Molar Refractivity: 111.3181 cm^3
• Polarizability: 43.325428 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Conformers (6:1)
• Classification: Derivatives & analogs of Natural Compounds