1,1,3-trimethyl-1,3-dihydrospiro[benzo[e]indole-2,2'-chromene]-6'-ol

• ChemBase ID: 191797
• Molecular Formular: C23H21NO2
• Molecular Mass: 343.41834
• Monoisotopic Mass: 343.15722892
• SMILES: C12(N(c3c(C1(C)C)c1c(cc3)cccc1)C)Oc1c(C=C2)cc(cc1)O
• Canonical SMILES: Oc1ccc2c(c1)C=CC1(O2)N(C)c2c(C1(C)C)c1ccccc1cc2
• InChI: InChI=1S/C23H21NO2/c1-22(2)21-18-7-5-4-6-15(18)8-10-19(21)24(3)23(22)13-12-16-14-17(25)9-11-20(16)26-23/h4-14,25H,1-3H3
• InChIKey: LFTVLSDFPHCWHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,3-trimethyl-1,3-dihydrospiro[benzo[e]indole-2,2'-chromene]-6'-ol
• IUPAC Traditional name: 1,1,3-trimethylspiro[benzo[e]indole-2,2'-chromene]-6'-ol

Database IDs

• PubChem SID: 164247707
• PubChem CID: 4308565

CALCULATED PROPERTIES

• Acid pKa: 9.781116
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 6.1154184
• LogD (pH = 7.4): 6.113649
• Log P: 6.115441
• Molar Refractivity: 105.3676 cm^3
• Polarizability: 41.09369 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds