1,6,7-trimethoxy-3-methyl-5-(propan-2-yl)-2-[1,6,7-trimethoxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]naphthalene

• ChemBase ID: 189725
• Molecular Formular: C34H42O6
• Molecular Mass: 546.69368
• Monoisotopic Mass: 546.29813906
• SMILES: c1(c2c(c3c(c(c(c(c3)OC)OC)C(C)C)cc2C)OC)c(c2c(c(c(c(c2)OC)OC)C(C)C)cc1C)OC
• Canonical SMILES: COc1c(c(C)cc2c1cc(OC)c(c2C(C)C)OC)c1c(C)cc2c(c1OC)cc(c(c2C(C)C)OC)OC
• InChI: InChI=1S/C34H42O6/c1-17(2)27-21-13-19(5)29(31(37-9)23(21)15-25(35-7)33(27)39-11)30-20(6)14-22-24(32(30)38-10)16-26(36-8)34(40-12)28(22)18(3)4/h13-18H,1-12H3
• InChIKey: PJUBHJXUFSDNKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6,7-trimethoxy-3-methyl-5-(propan-2-yl)-2-[1,6,7-trimethoxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]naphthalene
• IUPAC Traditional name: 1-isopropyl-6-(5-isopropyl-1,6,7-trimethoxy-3-methylnaphthalen-2-yl)-2,3,5-trimethoxy-7-methylnaphthalene

Database IDs

• PubChem SID: 164245635
• PubChem CID: 237066

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 8.1702585
• LogD (pH = 7.4): 8.1702585
• Log P: 8.1702585
• Molar Refractivity: 161.3378 cm^3
• Polarizability: 65.909744 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds