1-(3-diphenylphosphanylphenyl)-3-phenylurea

C25H21N2OP — CID 71413565

IUPAC1-(3-diphenylphosphanylphenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H21N2OP/c28-25(26-20-11-4-1-5-12-20)27-21-13-10-18-24(19-21)29(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19H,(H2,26,27,28)
InChIKeyAYZMOYNBCSRKBO-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.09
Rot. Bonds5

About 1-(3-diphenylphosphanylphenyl)-3-phenylurea

1-(3-diphenylphosphanylphenyl)-3-phenylurea (PubChem CID 71413565) has the molecular formula C25H21N2OP and a molecular weight of 396.43 g/mol. Its IUPAC name is 1-(3-diphenylphosphanylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-diphenylphosphanylphenyl)-3-phenylurea
PubChem CID71413565
Molecular FormulaC25H21N2OP
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name1-(3-diphenylphosphanylphenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H21N2OP/c28-25(26-20-11-4-1-5-12-20)27-21-13-10-18-24(19-21)29(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19H,(H2,26,27,28)
InChIKeyAYZMOYNBCSRKBO-UHFFFAOYSA-N
XLogP5.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-diphenylphosphanylphenyl)-3-phenylurea?
The IUPAC name of 1-(3-diphenylphosphanylphenyl)-3-phenylurea (CID 71413565) is 1-(3-diphenylphosphanylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(3-diphenylphosphanylphenyl)-3-phenylurea?
The canonical SMILES for 1-(3-diphenylphosphanylphenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-(3-diphenylphosphanylphenyl)-3-phenylurea?
The InChIKey is AYZMOYNBCSRKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N2OP/c28-25(26-20-11-4-1-5-12-20)27-21-13-10-18-24(19-21)29(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19H,(H2,26,27,28).
What are the key properties of 1-(3-diphenylphosphanylphenyl)-3-phenylurea?
1-(3-diphenylphosphanylphenyl)-3-phenylurea has a molecular weight of 396.43 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-diphenylphosphanylphenyl)-3-phenylurea is sourced from PubChem (CID 71413565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).