1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea

C53H48N2O5P4 — CID 164745970

IUPAC1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
SMILESO=C(N(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1)N(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H48N2O5P4/c56-53(54(41-61(57,45-25-9-1-10-26-45)46-27-11-2-12-28-46)42-62(58,47-29-13-3-14-30-47)48-31-15-4-16-32-48)55(43-63(59,49-33-17-5-18-34-49)50-35-19-6-20-36-50)44-64(60,51-37-21-7-22-38-51)52-39-23-8-24-40-52/h1-40H,41-44H2
InChIKeySBBXYIKAUOVZGE-UHFFFAOYSA-N
MW916.87 g/mol
LogP9.60
Rot. Bonds16

About 1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea

1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea (PubChem CID 164745970) has the molecular formula C53H48N2O5P4 and a molecular weight of 916.87 g/mol. Its IUPAC name is 1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea.

Molecular Properties

Compound Name1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
PubChem CID164745970
Molecular FormulaC53H48N2O5P4
Molecular Weight916.87 g/mol
Exact Mass916.25
IUPAC Name1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
SMILESO=C(N(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1)N(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H48N2O5P4/c56-53(54(41-61(57,45-25-9-1-10-26-45)46-27-11-2-12-28-46)42-62(58,47-29-13-3-14-30-47)48-31-15-4-16-32-48)55(43-63(59,49-33-17-5-18-34-49)50-35-19-6-20-36-50)44-64(60,51-37-21-7-22-38-51)52-39-23-8-24-40-52/h1-40H,41-44H2
InChIKeySBBXYIKAUOVZGE-UHFFFAOYSA-N
XLogP9.60
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.87
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
CID 165065913
N-(diphenylphosphorylmethyl)-N-methyl-2-phenylacetamide
CID 10044246
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenoxyphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
CID 165051099
1,3-bis(diphenylphosphorylmethyl)urea
CID 164746016
N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 11827251
diphenylphosphinic acid chloride
CID 53401992
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
2-bromo-N-(diphenylphosphorylmethyl)-N-methylaniline
CID 11101423
4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 14169460
2-(diphenylphosphorylmethylsulfanyl)-1-phenylethanone
CID 12896589

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea?
The IUPAC name of 1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea (CID 164745970) is 1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea.
What is the SMILES notation for 1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea?
The canonical SMILES for 1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea is O=C(N(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1)N(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea?
The InChIKey is SBBXYIKAUOVZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N2O5P4/c56-53(54(41-61(57,45-25-9-1-10-26-45)46-27-11-2-12-28-46)42-62(58,47-29-13-3-14-30-47)48-31-15-4-16-32-48)55(43-63(59,49-33-17-5-18-34-49)50-35-19-6-20-36-50)44-64(60,51-37-21-7-22-38-51)52-39-23-8-24-40-52/h1-40H,41-44H2.
What are the key properties of 1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea?
1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea has a molecular weight of 916.87 g/mol, XLogP of 9.60, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea is sourced from PubChem (CID 164745970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).