3-dibenzofuran-4-ylnaphthalen-1-amine

C22H15NO — CID 118534182

IUPAC3-dibenzofuran-4-ylnaphthalen-1-amine
SMILESNc1cc(-c2cccc3c2oc2ccccc23)cc2ccccc12
InChIInChI=1S/C22H15NO/c23-20-13-15(12-14-6-1-2-7-16(14)20)17-9-5-10-19-18-8-3-4-11-21(18)24-22(17)19/h1-13H,23H2
InChIKeyMHELSULJRAGYTE-UHFFFAOYSA-N
MW309.37 g/mol
LogP5.99
Rot. Bonds1

About 3-dibenzofuran-4-ylnaphthalen-1-amine

3-dibenzofuran-4-ylnaphthalen-1-amine (PubChem CID 118534182) has the molecular formula C22H15NO and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-dibenzofuran-4-ylnaphthalen-1-amine.

Molecular Properties

Compound Name3-dibenzofuran-4-ylnaphthalen-1-amine
PubChem CID118534182
Molecular FormulaC22H15NO
Molecular Weight309.37 g/mol
Exact Mass309.12
IUPAC Name3-dibenzofuran-4-ylnaphthalen-1-amine
SMILESNc1cc(-c2cccc3c2oc2ccccc23)cc2ccccc12
InChIInChI=1S/C22H15NO/c23-20-13-15(12-14-6-1-2-7-16(14)20)17-9-5-10-19-18-8-3-4-11-21(18)24-22(17)19/h1-13H,23H2
InChIKeyMHELSULJRAGYTE-UHFFFAOYSA-N
XLogP5.99
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-dibenzofuran-4-ylaniline
CID 166567147
4-anthracen-9-yldibenzofuran
CID 167187282
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran
CID 146440202
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153466225
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
(3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride
CID 118935396
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-ylnaphthalen-1-amine?
The IUPAC name of 3-dibenzofuran-4-ylnaphthalen-1-amine (CID 118534182) is 3-dibenzofuran-4-ylnaphthalen-1-amine.
What is the SMILES notation for 3-dibenzofuran-4-ylnaphthalen-1-amine?
The canonical SMILES for 3-dibenzofuran-4-ylnaphthalen-1-amine is Nc1cc(-c2cccc3c2oc2ccccc23)cc2ccccc12.
What is the InChIKey of 3-dibenzofuran-4-ylnaphthalen-1-amine?
The InChIKey is MHELSULJRAGYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO/c23-20-13-15(12-14-6-1-2-7-16(14)20)17-9-5-10-19-18-8-3-4-11-21(18)24-22(17)19/h1-13H,23H2.
What are the key properties of 3-dibenzofuran-4-ylnaphthalen-1-amine?
3-dibenzofuran-4-ylnaphthalen-1-amine has a molecular weight of 309.37 g/mol, XLogP of 5.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-ylnaphthalen-1-amine is sourced from PubChem (CID 118534182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).