2-ethyl-7-(4-fluorophenyl)phenanthrene

C22H17F — CID 139883413

IUPAC2-ethyl-7-(4-fluorophenyl)phenanthrene
SMILESCCc1ccc2c(ccc3cc(-c4ccc(F)cc4)ccc32)c1
InChIInChI=1S/C22H17F/c1-2-15-3-11-21-18(13-15)4-5-19-14-17(8-12-22(19)21)16-6-9-20(23)10-7-16/h3-14H,2H2,1H3
InChIKeyWORZJIJVUXOKBP-UHFFFAOYSA-N
MW300.38 g/mol
LogP6.36
Rot. Bonds2

About 2-ethyl-7-(4-fluorophenyl)phenanthrene

2-ethyl-7-(4-fluorophenyl)phenanthrene (PubChem CID 139883413) has the molecular formula C22H17F and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-ethyl-7-(4-fluorophenyl)phenanthrene.

Molecular Properties

Compound Name2-ethyl-7-(4-fluorophenyl)phenanthrene
PubChem CID139883413
Molecular FormulaC22H17F
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-ethyl-7-(4-fluorophenyl)phenanthrene
SMILESCCc1ccc2c(ccc3cc(-c4ccc(F)cc4)ccc32)c1
InChIInChI=1S/C22H17F/c1-2-15-3-11-21-18(13-15)4-5-19-14-17(8-12-22(19)21)16-6-9-20(23)10-7-16/h3-14H,2H2,1H3
InChIKeyWORZJIJVUXOKBP-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.38
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(4-fluorophenyl)phenanthrene?
The IUPAC name of 2-ethyl-7-(4-fluorophenyl)phenanthrene (CID 139883413) is 2-ethyl-7-(4-fluorophenyl)phenanthrene.
What is the SMILES notation for 2-ethyl-7-(4-fluorophenyl)phenanthrene?
The canonical SMILES for 2-ethyl-7-(4-fluorophenyl)phenanthrene is CCc1ccc2c(ccc3cc(-c4ccc(F)cc4)ccc32)c1.
What is the InChIKey of 2-ethyl-7-(4-fluorophenyl)phenanthrene?
The InChIKey is WORZJIJVUXOKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F/c1-2-15-3-11-21-18(13-15)4-5-19-14-17(8-12-22(19)21)16-6-9-20(23)10-7-16/h3-14H,2H2,1H3.
What are the key properties of 2-ethyl-7-(4-fluorophenyl)phenanthrene?
2-ethyl-7-(4-fluorophenyl)phenanthrene has a molecular weight of 300.38 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(4-fluorophenyl)phenanthrene is sourced from PubChem (CID 139883413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).