2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol

C37H42FNO2 — CID 164879218

About 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol

2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol (PubChem CID 164879218) has the molecular formula C37H42FNO2 and a molecular weight of 551.75 g/mol. Its IUPAC name is 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol.

Molecular Properties

• Compound Name: 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol
• PubChem CID: 164879218
• Molecular Formula: C37H42FNO2
• Molecular Weight: 551.75 g/mol
• Exact Mass: 551.32
• IUPAC Name: 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol
• SMILES: CCc1ccc2c3ccc(CC)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)cc(C)c4O)c3O)c2c1
• InChI: InChI=1S/C37H42FNO2/c1-9-23-11-13-27-28-14-12-24(10-2)17-32(28)39(31(27)16-23)33-19-25(37(7,8)21-36(4,5)6)18-29(35(33)41)30-20-26(38)15-22(3)34(30)40/h11-20,40-41H,9-10,21H2,1-8H3
• InChIKey: CCZZMSUAKSGFOE-UHFFFAOYSA-N
• XLogP: 10.15
• TPSA: 45.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.75
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol?

The IUPAC name of 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol (CID 164879218) is 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol.

What is the SMILES notation for 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol?

The canonical SMILES for 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol is CCc1ccc2c3ccc(CC)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)cc(C)c4O)c3O)c2c1.

What is the InChIKey of 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol?

The InChIKey is CCZZMSUAKSGFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42FNO2/c1-9-23-11-13-27-28-14-12-24(10-2)17-32(28)39(31(27)16-23)33-19-25(37(7,8)21-36(4,5)6)18-29(35(33)41)30-20-26(38)15-22(3)34(30)40/h11-20,40-41H,9-10,21H2,1-8H3.

What are the key properties of 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol?

2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol has a molecular weight of 551.75 g/mol, XLogP of 10.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol is sourced from PubChem (CID 164879218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).