1-(2-phenylphenyl)dibenzofuran-4-amine

C24H17NO — CID 140757052

IUPAC1-(2-phenylphenyl)dibenzofuran-4-amine
SMILESNc1ccc(-c2ccccc2-c2ccccc2)c2c1oc1ccccc12
InChIInChI=1S/C24H17NO/c25-21-15-14-19(23-20-12-6-7-13-22(20)26-24(21)23)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-15H,25H2
InChIKeyMLCBNIJFGAHLED-UHFFFAOYSA-N
MW335.41 g/mol
LogP6.50
Rot. Bonds2

About 1-(2-phenylphenyl)dibenzofuran-4-amine

1-(2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 140757052) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name1-(2-phenylphenyl)dibenzofuran-4-amine
PubChem CID140757052
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name1-(2-phenylphenyl)dibenzofuran-4-amine
SMILESNc1ccc(-c2ccccc2-c2ccccc2)c2c1oc1ccccc12
InChIInChI=1S/C24H17NO/c25-21-15-14-19(23-20-12-6-7-13-22(20)26-24(21)23)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-15H,25H2
InChIKeyMLCBNIJFGAHLED-UHFFFAOYSA-N
XLogP6.50
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 1-(2-phenylphenyl)dibenzofuran-4-amine (CID 140757052) is 1-(2-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 1-(2-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 1-(2-phenylphenyl)dibenzofuran-4-amine is Nc1ccc(-c2ccccc2-c2ccccc2)c2c1oc1ccccc12.
What is the InChIKey of 1-(2-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is MLCBNIJFGAHLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c25-21-15-14-19(23-20-12-6-7-13-22(20)26-24(21)23)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-15H,25H2.
What are the key properties of 1-(2-phenylphenyl)dibenzofuran-4-amine?
1-(2-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 335.41 g/mol, XLogP of 6.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 140757052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).