1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine

C28H21FN2O — CID 126256315

IUPAC1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine
SMILESFc1cccc(Cn2ccc3cc(/C=N/c4ccc(Oc5ccccc5)cc4)ccc32)c1
InChIInChI=1S/C28H21FN2O/c29-24-6-4-5-22(18-24)20-31-16-15-23-17-21(9-14-28(23)31)19-30-25-10-12-27(13-11-25)32-26-7-2-1-3-8-26/h1-19H,20H2/b30-19+
InChIKeyWFXQQVLCDGLVAD-NDZAJKAJSA-N
MW420.49 g/mol
LogP7.37
Rot. Bonds6

About 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine

1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine (PubChem CID 126256315) has the molecular formula C28H21FN2O and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine
PubChem CID126256315
Molecular FormulaC28H21FN2O
Molecular Weight420.49 g/mol
Exact Mass420.16
IUPAC Name1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine
SMILESFc1cccc(Cn2ccc3cc(/C=N/c4ccc(Oc5ccccc5)cc4)ccc32)c1
InChIInChI=1S/C28H21FN2O/c29-24-6-4-5-22(18-24)20-31-16-15-23-17-21(9-14-28(23)31)19-30-25-10-12-27(13-11-25)32-26-7-2-1-3-8-26/h1-19H,20H2/b30-19+
InChIKeyWFXQQVLCDGLVAD-NDZAJKAJSA-N
XLogP7.37
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine (CID 126256315) is 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine is Fc1cccc(Cn2ccc3cc(/C=N/c4ccc(Oc5ccccc5)cc4)ccc32)c1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine?
The InChIKey is WFXQQVLCDGLVAD-NDZAJKAJSA-N. The full InChI is InChI=1S/C28H21FN2O/c29-24-6-4-5-22(18-24)20-31-16-15-23-17-21(9-14-28(23)31)19-30-25-10-12-27(13-11-25)32-26-7-2-1-3-8-26/h1-19H,20H2/b30-19+.
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine?
1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine has a molecular weight of 420.49 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 126256315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).