2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole

C21H13FN2 — CID 699593

IUPAC2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
SMILESFc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1
InChIInChI=1S/C21H13FN2/c22-14-11-9-13(10-12-14)21-23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)24-21/h1-12H,(H,23,24)
InChIKeyYSKDKFKLIRCSKD-UHFFFAOYSA-N
MW312.35 g/mol
LogP5.68
Rot. Bonds1

About 2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole

2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 699593) has the molecular formula C21H13FN2 and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
PubChem CID699593
Molecular FormulaC21H13FN2
Molecular Weight312.35 g/mol
Exact Mass312.11
IUPAC Name2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
SMILESFc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1
InChIInChI=1S/C21H13FN2/c22-14-11-9-13(10-12-14)21-23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)24-21/h1-12H,(H,23,24)
InChIKeyYSKDKFKLIRCSKD-UHFFFAOYSA-N
XLogP5.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.35
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole (CID 699593) is 2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole is Fc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is YSKDKFKLIRCSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2/c22-14-11-9-13(10-12-14)21-23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)24-21/h1-12H,(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 312.35 g/mol, XLogP of 5.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 699593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).