1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea

C32H22N4O4 — CID 4639027

IUPAC1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
SMILESO=C(Nc1cccc(NC(=O)Nc2ccc3c(c2)oc2ccccc23)c1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C32H22N4O4/c37-31(35-21-12-14-25-23-8-1-3-10-27(23)39-29(25)17-21)33-19-6-5-7-20(16-19)34-32(38)36-22-13-15-26-24-9-2-4-11-28(24)40-30(26)18-22/h1-18H,(H2,33,35,37)(H2,34,36,38)
InChIKeyDIMXWTGNIBTVAM-UHFFFAOYSA-N
MW526.55 g/mol
LogP8.77
Rot. Bonds4

About 1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea

1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea (PubChem CID 4639027) has the molecular formula C32H22N4O4 and a molecular weight of 526.55 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
PubChem CID4639027
Molecular FormulaC32H22N4O4
Molecular Weight526.55 g/mol
Exact Mass526.16
IUPAC Name1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
SMILESO=C(Nc1cccc(NC(=O)Nc2ccc3c(c2)oc2ccccc23)c1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C32H22N4O4/c37-31(35-21-12-14-25-23-8-1-3-10-27(23)39-29(25)17-21)33-19-6-5-7-20(16-19)34-32(38)36-22-13-15-26-24-9-2-4-11-28(24)40-30(26)18-22/h1-18H,(H2,33,35,37)(H2,34,36,38)
InChIKeyDIMXWTGNIBTVAM-UHFFFAOYSA-N
XLogP8.77
TPSA108.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.55
LogP ≤ 58.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea
CID 2421709
(2E)-N-dibenzofuran-3-yl-2-hydroxyiminoacetamide
CID 10999588
3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea
CID 75475921
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 86967249
1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea
CID 111473777
N-dibenzofuran-3-ylcyclohexanecarboxamide
CID 2833464
1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea
CID 71941296
N-dibenzofuran-3-yl-3-(trifluoromethyl)benzamide
CID 2876758
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea (CID 4639027) is 1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea is O=C(Nc1cccc(NC(=O)Nc2ccc3c(c2)oc2ccccc23)c1)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea?
The InChIKey is DIMXWTGNIBTVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4O4/c37-31(35-21-12-14-25-23-8-1-3-10-27(23)39-29(25)17-21)33-19-6-5-7-20(16-19)34-32(38)36-22-13-15-26-24-9-2-4-11-28(24)40-30(26)18-22/h1-18H,(H2,33,35,37)(H2,34,36,38).
What are the key properties of 1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea?
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea has a molecular weight of 526.55 g/mol, XLogP of 8.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 4639027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).