4-(4-dibenzofuran-4-ylphenyl)aniline

C24H17NO — CID 58510844

IUPAC4-(4-dibenzofuran-4-ylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C24H17NO/c25-19-14-12-17(13-15-19)16-8-10-18(11-9-16)20-5-3-6-22-21-4-1-2-7-23(21)26-24(20)22/h1-15H,25H2
InChIKeyRMHXLWWFNNUFGW-UHFFFAOYSA-N
MW335.41 g/mol
LogP6.50
Rot. Bonds2

About 4-(4-dibenzofuran-4-ylphenyl)aniline

4-(4-dibenzofuran-4-ylphenyl)aniline (PubChem CID 58510844) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-ylphenyl)aniline.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-ylphenyl)aniline
PubChem CID58510844
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name4-(4-dibenzofuran-4-ylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C24H17NO/c25-19-14-12-17(13-15-19)16-8-10-18(11-9-16)20-5-3-6-22-21-4-1-2-7-23(21)26-24(20)22/h1-15H,25H2
InChIKeyRMHXLWWFNNUFGW-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 4-(4-dibenzofuran-4-ylphenyl)aniline?
The IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)aniline (CID 58510844) is 4-(4-dibenzofuran-4-ylphenyl)aniline.
What is the SMILES notation for 4-(4-dibenzofuran-4-ylphenyl)aniline?
The canonical SMILES for 4-(4-dibenzofuran-4-ylphenyl)aniline is Nc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-4-ylphenyl)aniline?
The InChIKey is RMHXLWWFNNUFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c25-19-14-12-17(13-15-19)16-8-10-18(11-9-16)20-5-3-6-22-21-4-1-2-7-23(21)26-24(20)22/h1-15H,25H2.
What are the key properties of 4-(4-dibenzofuran-4-ylphenyl)aniline?
4-(4-dibenzofuran-4-ylphenyl)aniline 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 4-(4-dibenzofuran-4-ylphenyl)aniline is sourced from PubChem (CID 58510844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).