6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine

C21H16FNO — CID 135030492

IUPAC6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine
SMILESCOc1ccc2c(c1)nc(CF)c1cc(-c3ccccc3)ccc12
InChIInChI=1S/C21H16FNO/c1-24-16-8-10-18-17-9-7-15(14-5-3-2-4-6-14)11-19(17)21(13-22)23-20(18)12-16/h2-12H,13H2,1H3
InChIKeyPFMFOAYVZGLKKP-UHFFFAOYSA-N
MW317.36 g/mol
LogP5.53
Rot. Bonds3

About 6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine

6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine (PubChem CID 135030492) has the molecular formula C21H16FNO and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine.

Molecular Properties

Compound Name6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine
PubChem CID135030492
Molecular FormulaC21H16FNO
Molecular Weight317.36 g/mol
Exact Mass317.12
IUPAC Name6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine
SMILESCOc1ccc2c(c1)nc(CF)c1cc(-c3ccccc3)ccc12
InChIInChI=1S/C21H16FNO/c1-24-16-8-10-18-17-9-7-15(14-5-3-2-4-6-14)11-19(17)21(13-22)23-20(18)12-16/h2-12H,13H2,1H3
InChIKeyPFMFOAYVZGLKKP-UHFFFAOYSA-N
XLogP5.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.36
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
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4-(7-Methoxyquinolin-4-yl)-2-methylphenol
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9-Methoxyacridine
CID 99383
2-(4-Methoxyphenyl)quinoline
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CID 81660
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CID 687304
Curryangine
CID 375143
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CID 44432660

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine?
The IUPAC name of 6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine (CID 135030492) is 6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine.
What is the SMILES notation for 6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine?
The canonical SMILES for 6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine is COc1ccc2c(c1)nc(CF)c1cc(-c3ccccc3)ccc12.
What is the InChIKey of 6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine?
The InChIKey is PFMFOAYVZGLKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO/c1-24-16-8-10-18-17-9-7-15(14-5-3-2-4-6-14)11-19(17)21(13-22)23-20(18)12-16/h2-12H,13H2,1H3.
What are the key properties of 6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine?
6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine has a molecular weight of 317.36 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-3-methoxy-8-phenylphenanthridine is sourced from PubChem (CID 135030492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).