1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole

C26H24FNO2 — CID 156868592

IUPAC1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole
SMILESC=C/C(=C\CCC)COc1cc(Oc2ccccc2)cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C26H24FNO2/c1-3-5-9-18(4-2)17-29-25-16-21(30-20-10-7-6-8-11-20)15-23-22-14-19(27)12-13-24(22)28-26(23)25/h4,6-16,28H,2-3,5,17H2,1H3/b18-9+
InChIKeyHMVBOUWHHYEBNZ-GIJQJNRQSA-N
MW401.48 g/mol
LogP7.54
Rot. Bonds8

About 1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole

1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole (PubChem CID 156868592) has the molecular formula C26H24FNO2 and a molecular weight of 401.48 g/mol. Its IUPAC name is 1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole.

Molecular Properties

Compound Name1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole
PubChem CID156868592
Molecular FormulaC26H24FNO2
Molecular Weight401.48 g/mol
Exact Mass401.18
IUPAC Name1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole
SMILESC=C/C(=C\CCC)COc1cc(Oc2ccccc2)cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C26H24FNO2/c1-3-5-9-18(4-2)17-29-25-16-21(30-20-10-7-6-8-11-20)15-23-22-14-19(27)12-13-24(22)28-26(23)25/h4,6-16,28H,2-3,5,17H2,1H3/b18-9+
InChIKeyHMVBOUWHHYEBNZ-GIJQJNRQSA-N
XLogP7.54
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole?
The IUPAC name of 1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole (CID 156868592) is 1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole.
What is the SMILES notation for 1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole?
The canonical SMILES for 1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole is C=C/C(=C\CCC)COc1cc(Oc2ccccc2)cc2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole?
The InChIKey is HMVBOUWHHYEBNZ-GIJQJNRQSA-N. The full InChI is InChI=1S/C26H24FNO2/c1-3-5-9-18(4-2)17-29-25-16-21(30-20-10-7-6-8-11-20)15-23-22-14-19(27)12-13-24(22)28-26(23)25/h4,6-16,28H,2-3,5,17H2,1H3/b18-9+.
What are the key properties of 1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole?
1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole has a molecular weight of 401.48 g/mol, XLogP of 7.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-ethenylhex-2-enoxy]-6-fluoro-3-phenoxy-9H-carbazole is sourced from PubChem (CID 156868592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).