6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine

C21H14FN — CID 10870278

IUPAC6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine
SMILESFc1cccc(/C=C/c2nc3ccccc3c3ccccc23)c1
InChIInChI=1S/C21H14FN/c22-16-7-5-6-15(14-16)12-13-21-19-9-2-1-8-17(19)18-10-3-4-11-20(18)23-21/h1-14H/b13-12+
InChIKeyKHUNUSQQSCTENU-OUKQBFOZSA-N
MW299.35 g/mol
LogP5.70
Rot. Bonds2

About 6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine

6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine (PubChem CID 10870278) has the molecular formula C21H14FN and a molecular weight of 299.35 g/mol. Its IUPAC name is 6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine.

Molecular Properties

Compound Name6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine
PubChem CID10870278
Molecular FormulaC21H14FN
Molecular Weight299.35 g/mol
Exact Mass299.11
IUPAC Name6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine
SMILESFc1cccc(/C=C/c2nc3ccccc3c3ccccc23)c1
InChIInChI=1S/C21H14FN/c22-16-7-5-6-15(14-16)12-13-21-19-9-2-1-8-17(19)18-10-3-4-11-20(18)23-21/h1-14H/b13-12+
InChIKeyKHUNUSQQSCTENU-OUKQBFOZSA-N
XLogP5.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.35
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]quinazoline
CID 71814868
2-[2-(3-fluorophenyl)ethenyl]naphthalene
CID 68615723
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
2-phenyl-4-(2-phenylethenyl)quinazoline
CID 54158747
2-[(E)-2-(3-fluorophenyl)ethenyl]-3-(4-iodo-2-methylphenyl)quinazolin-4-one
CID 86771450
(E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one
CID 75458521
6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline
CID 6414924
5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 75071270
5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 44563802
1-fluoro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89327803
3-(5-chloro-2-methoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966975
N-[[3-(aminomethyl)cyclohexyl]methyl]-2-[2-(3-fluorophenyl)ethenyl]quinazolin-4-amine
CID 68683120

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine?
The IUPAC name of 6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine (CID 10870278) is 6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine.
What is the SMILES notation for 6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine?
The canonical SMILES for 6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine is Fc1cccc(/C=C/c2nc3ccccc3c3ccccc23)c1.
What is the InChIKey of 6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine?
The InChIKey is KHUNUSQQSCTENU-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H14FN/c22-16-7-5-6-15(14-16)12-13-21-19-9-2-1-8-17(19)18-10-3-4-11-20(18)23-21/h1-14H/b13-12+.
What are the key properties of 6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine?
6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine has a molecular weight of 299.35 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine is sourced from PubChem (CID 10870278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).