2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol

C39H46FNO3 — CID 166669181

About 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol

2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol (PubChem CID 166669181) has the molecular formula C39H46FNO3 and a molecular weight of 595.80 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol
• PubChem CID: 166669181
• Molecular Formula: C39H46FNO3
• Molecular Weight: 595.80 g/mol
• Exact Mass: 595.35
• IUPAC Name: 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol
• SMILES: CCCCCCCCC(C)(C)c1cc(-c2cc(F)ccc2OCCCCO)c(O)c(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C39H46FNO3/c1-4-5-6-7-8-13-22-39(2,3)28-25-33(32-27-29(40)20-21-37(32)44-24-15-14-23-42)38(43)36(26-28)41-34-18-11-9-16-30(34)31-17-10-12-19-35(31)41/h9-12,16-21,25-27,42-43H,4-8,13-15,22-24H2,1-3H3
• InChIKey: GHXDUSYMSXZGBG-UHFFFAOYSA-N
• XLogP: 10.47
• TPSA: 54.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.80
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol?

The IUPAC name of 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol (CID 166669181) is 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol.

What is the SMILES notation for 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol?

The canonical SMILES for 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol is CCCCCCCCC(C)(C)c1cc(-c2cc(F)ccc2OCCCCO)c(O)c(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol?

The InChIKey is GHXDUSYMSXZGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46FNO3/c1-4-5-6-7-8-13-22-39(2,3)28-25-33(32-27-29(40)20-21-37(32)44-24-15-14-23-42)38(43)36(26-28)41-34-18-11-9-16-30(34)31-17-10-12-19-35(31)41/h9-12,16-21,25-27,42-43H,4-8,13-15,22-24H2,1-3H3.

What are the key properties of 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol?

2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol has a molecular weight of 595.80 g/mol, XLogP of 10.47, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol is sourced from PubChem (CID 166669181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).