3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one

C28H19NO3 — CID 2268521

IUPAC3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one
SMILESCOc1ccc(C2=C(Nc3ccc4oc5ccccc5c4c3)c3ccccc3C2=O)cc1
InChIInChI=1S/C28H19NO3/c1-31-19-13-10-17(11-14-19)26-27(21-7-2-3-8-22(21)28(26)30)29-18-12-15-25-23(16-18)20-6-4-5-9-24(20)32-25/h2-16,29H,1H3
InChIKeyPELPAIMEYDRABI-UHFFFAOYSA-N
MW417.46 g/mol
LogP6.77
Rot. Bonds4

About 3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one

3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one (PubChem CID 2268521) has the molecular formula C28H19NO3 and a molecular weight of 417.46 g/mol. Its IUPAC name is 3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one.

Molecular Properties

Compound Name3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one
PubChem CID2268521
Molecular FormulaC28H19NO3
Molecular Weight417.46 g/mol
Exact Mass417.14
IUPAC Name3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one
SMILESCOc1ccc(C2=C(Nc3ccc4oc5ccccc5c4c3)c3ccccc3C2=O)cc1
InChIInChI=1S/C28H19NO3/c1-31-19-13-10-17(11-14-19)26-27(21-7-2-3-8-22(21)28(26)30)29-18-12-15-25-23(16-18)20-6-4-5-9-24(20)32-25/h2-16,29H,1H3
InChIKeyPELPAIMEYDRABI-UHFFFAOYSA-N
XLogP6.77
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one?
The IUPAC name of 3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one (CID 2268521) is 3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one.
What is the SMILES notation for 3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one?
The canonical SMILES for 3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one is COc1ccc(C2=C(Nc3ccc4oc5ccccc5c4c3)c3ccccc3C2=O)cc1.
What is the InChIKey of 3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one?
The InChIKey is PELPAIMEYDRABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO3/c1-31-19-13-10-17(11-14-19)26-27(21-7-2-3-8-22(21)28(26)30)29-18-12-15-25-23(16-18)20-6-4-5-9-24(20)32-25/h2-16,29H,1H3.
What are the key properties of 3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one?
3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one has a molecular weight of 417.46 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzofuran-2-ylamino)-2-(4-methoxyphenyl)inden-1-one is sourced from PubChem (CID 2268521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).