1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

C27H20F3NO — CID 69003572

IUPAC1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C27H20F3NO/c28-27(29,30)21-14-10-19(11-15-21)17-31-16-18-8-12-20(13-9-18)22-5-3-6-24-23-4-1-2-7-25(23)32-26(22)24/h1-15,31H,16-17H2
InChIKeyQRUDGWBWOQORIZ-UHFFFAOYSA-N
MW431.46 g/mol
LogP7.56
Rot. Bonds5

About 1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 69003572) has the molecular formula C27H20F3NO and a molecular weight of 431.46 g/mol. Its IUPAC name is 1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID69003572
Molecular FormulaC27H20F3NO
Molecular Weight431.46 g/mol
Exact Mass431.15
IUPAC Name1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C27H20F3NO/c28-27(29,30)21-14-10-19(11-15-21)17-31-16-18-8-12-20(13-9-18)22-5-3-6-24-23-4-1-2-7-25(23)32-26(22)24/h1-15,31H,16-17H2
InChIKeyQRUDGWBWOQORIZ-UHFFFAOYSA-N
XLogP7.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (CID 69003572) is 1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is FC(F)(F)c1ccc(CNCc2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is QRUDGWBWOQORIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3NO/c28-27(29,30)21-14-10-19(11-15-21)17-31-16-18-8-12-20(13-9-18)22-5-3-6-24-23-4-1-2-7-25(23)32-26(22)24/h1-15,31H,16-17H2.
What are the key properties of 1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 431.46 g/mol, XLogP of 7.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-4-ylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 69003572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).