2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one

C30H24N2O2 — CID 4916628

IUPAC2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(NC2=CC(c3ccc4oc5ccccc5c4c3)N(c3cccc(C)c3)C2=O)c1
InChIInChI=1S/C30H24N2O2/c1-19-7-5-9-22(15-19)31-26-18-27(32(30(26)33)23-10-6-8-20(2)16-23)21-13-14-29-25(17-21)24-11-3-4-12-28(24)34-29/h3-18,27,31H,1-2H3
InChIKeyWVSVUFLYUPAIKE-UHFFFAOYSA-N
MW444.53 g/mol
LogP7.29
Rot. Bonds4

About 2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one

2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 4916628) has the molecular formula C30H24N2O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one
PubChem CID4916628
Molecular FormulaC30H24N2O2
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(NC2=CC(c3ccc4oc5ccccc5c4c3)N(c3cccc(C)c3)C2=O)c1
InChIInChI=1S/C30H24N2O2/c1-19-7-5-9-22(15-19)31-26-18-27(32(30(26)33)23-10-6-8-20(2)16-23)21-13-14-29-25(17-21)24-11-3-4-12-28(24)34-29/h3-18,27,31H,1-2H3
InChIKeyWVSVUFLYUPAIKE-UHFFFAOYSA-N
XLogP7.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one (CID 4916628) is 2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one is Cc1cccc(NC2=CC(c3ccc4oc5ccccc5c4c3)N(c3cccc(C)c3)C2=O)c1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is WVSVUFLYUPAIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O2/c1-19-7-5-9-22(15-19)31-26-18-27(32(30(26)33)23-10-6-8-20(2)16-23)21-13-14-29-25(17-21)24-11-3-4-12-28(24)34-29/h3-18,27,31H,1-2H3.
What are the key properties of 2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one?
2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 444.53 g/mol, XLogP of 7.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4916628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).