6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole

C25H18FNO2 — CID 166768555

IUPAC6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole
SMILESFc1ccc2[nH]c3c(OCc4ccccc4)cc(Oc4ccccc4)cc3c2c1
InChIInChI=1S/C25H18FNO2/c26-18-11-12-23-21(13-18)22-14-20(29-19-9-5-2-6-10-19)15-24(25(22)27-23)28-16-17-7-3-1-4-8-17/h1-15,27H,16H2
InChIKeyAVGMTHNHEQYSNM-UHFFFAOYSA-N
MW383.42 g/mol
LogP6.83
Rot. Bonds5

About 6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole

6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole (PubChem CID 166768555) has the molecular formula C25H18FNO2 and a molecular weight of 383.42 g/mol. Its IUPAC name is 6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole.

Molecular Properties

Compound Name6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole
PubChem CID166768555
Molecular FormulaC25H18FNO2
Molecular Weight383.42 g/mol
Exact Mass383.13
IUPAC Name6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole
SMILESFc1ccc2[nH]c3c(OCc4ccccc4)cc(Oc4ccccc4)cc3c2c1
InChIInChI=1S/C25H18FNO2/c26-18-11-12-23-21(13-18)22-14-20(29-19-9-5-2-6-10-19)15-24(25(22)27-23)28-16-17-7-3-1-4-8-17/h1-15,27H,16H2
InChIKeyAVGMTHNHEQYSNM-UHFFFAOYSA-N
XLogP6.83
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.42
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole?
The IUPAC name of 6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole (CID 166768555) is 6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole.
What is the SMILES notation for 6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole?
The canonical SMILES for 6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole is Fc1ccc2[nH]c3c(OCc4ccccc4)cc(Oc4ccccc4)cc3c2c1.
What is the InChIKey of 6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole?
The InChIKey is AVGMTHNHEQYSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO2/c26-18-11-12-23-21(13-18)22-14-20(29-19-9-5-2-6-10-19)15-24(25(22)27-23)28-16-17-7-3-1-4-8-17/h1-15,27H,16H2.
What are the key properties of 6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole?
6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole has a molecular weight of 383.42 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole is sourced from PubChem (CID 166768555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).