2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline

C27H16FN5 — CID 12001261

IUPAC2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESFc1ccc(-c2[nH]c3ccccc3c2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C27H16FN5/c28-16-11-9-15(10-12-16)22-21(17-5-1-2-8-20(17)31-22)27-32-25-18-6-3-13-29-23(18)24-19(26(25)33-27)7-4-14-30-24/h1-14,31H,(H,32,33)
InChIKeyFAAONTOMEIUWRE-UHFFFAOYSA-N
MW429.46 g/mol
LogP6.61
Rot. Bonds2

About 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline

2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 12001261) has the molecular formula C27H16FN5 and a molecular weight of 429.46 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID12001261
Molecular FormulaC27H16FN5
Molecular Weight429.46 g/mol
Exact Mass429.14
IUPAC Name2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESFc1ccc(-c2[nH]c3ccccc3c2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C27H16FN5/c28-16-11-9-15(10-12-16)22-21(17-5-1-2-8-20(17)31-22)27-32-25-18-6-3-13-29-23(18)24-19(26(25)33-27)7-4-14-30-24/h1-14,31H,(H,32,33)
InChIKeyFAAONTOMEIUWRE-UHFFFAOYSA-N
XLogP6.61
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.46
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline 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-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline (CID 12001261) is 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline is Fc1ccc(-c2[nH]c3ccccc3c2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is FAAONTOMEIUWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16FN5/c28-16-11-9-15(10-12-16)22-21(17-5-1-2-8-20(17)31-22)27-32-25-18-6-3-13-29-23(18)24-19(26(25)33-27)7-4-14-30-24/h1-14,31H,(H,32,33).
What are the key properties of 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 429.46 g/mol, XLogP of 6.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 12001261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).