1,1,3-triphenylurea

C19H16N2O — CID 597994

IUPAC1,1,3-triphenylurea
SMILESO=C(Nc1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O/c22-19(20-16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,20,22)
InChIKeyHKQGDIKHDDGEOE-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.06
Rot. Bonds3

About 1,1,3-triphenylurea

1,1,3-triphenylurea (PubChem CID 597994) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1,1,3-triphenylurea.

Molecular Properties

Compound Name1,1,3-triphenylurea
PubChem CID597994
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1,1,3-triphenylurea
SMILESO=C(Nc1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O/c22-19(20-16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,20,22)
InChIKeyHKQGDIKHDDGEOE-UHFFFAOYSA-N
XLogP5.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-triphenylurea?
The IUPAC name of 1,1,3-triphenylurea (CID 597994) is 1,1,3-triphenylurea.
What is the SMILES notation for 1,1,3-triphenylurea?
The canonical SMILES for 1,1,3-triphenylurea is O=C(Nc1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,3-triphenylurea?
The InChIKey is HKQGDIKHDDGEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-19(20-16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,20,22).
What are the key properties of 1,1,3-triphenylurea?
1,1,3-triphenylurea has a molecular weight of 288.35 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-triphenylurea is sourced from PubChem (CID 597994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).