2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine

C27H20FNO — CID 67943563

IUPAC2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine
SMILESC=CCOc1ccc(-c2ccc(-c3ccc4cccc5c4c3C=CC5)cn2)c(F)c1
InChIInChI=1S/C27H20FNO/c1-2-15-30-21-11-13-24(25(28)16-21)26-14-10-20(17-29-26)22-12-9-19-6-3-5-18-7-4-8-23(22)27(18)19/h2-6,8-14,16-17H,1,7,15H2
InChIKeyWPTXJZZTFTVTAI-UHFFFAOYSA-N
MW393.46 g/mol
LogP6.84
Rot. Bonds5

About 2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine

2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine (PubChem CID 67943563) has the molecular formula C27H20FNO and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine
PubChem CID67943563
Molecular FormulaC27H20FNO
Molecular Weight393.46 g/mol
Exact Mass393.15
IUPAC Name2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine
SMILESC=CCOc1ccc(-c2ccc(-c3ccc4cccc5c4c3C=CC5)cn2)c(F)c1
InChIInChI=1S/C27H20FNO/c1-2-15-30-21-11-13-24(25(28)16-21)26-14-10-20(17-29-26)22-12-9-19-6-3-5-18-7-4-8-23(22)27(18)19/h2-6,8-14,16-17H,1,7,15H2
InChIKeyWPTXJZZTFTVTAI-UHFFFAOYSA-N
XLogP6.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine?
The IUPAC name of 2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine (CID 67943563) is 2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine.
What is the SMILES notation for 2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine?
The canonical SMILES for 2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine is C=CCOc1ccc(-c2ccc(-c3ccc4cccc5c4c3C=CC5)cn2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine?
The InChIKey is WPTXJZZTFTVTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FNO/c1-2-15-30-21-11-13-24(25(28)16-21)26-14-10-20(17-29-26)22-12-9-19-6-3-5-18-7-4-8-23(22)27(18)19/h2-6,8-14,16-17H,1,7,15H2.
What are the key properties of 2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine?
2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine has a molecular weight of 393.46 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-prop-2-enoxyphenyl)-5-(7H-phenalen-1-yl)pyridine is sourced from PubChem (CID 67943563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).