1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea

C21H21N2OP — CID 23417824

IUPAC1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea
SMILESCN(C)C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N2OP/c1-23(2)21(24)22-25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKeyLUWLVUOCJJBKLU-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.85
Rot. Bonds3

About 1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea

1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea (PubChem CID 23417824) has the molecular formula C21H21N2OP and a molecular weight of 348.39 g/mol. Its IUPAC name is 1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea
PubChem CID23417824
Molecular FormulaC21H21N2OP
Molecular Weight348.39 g/mol
Exact Mass348.14
IUPAC Name1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea
SMILESCN(C)C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N2OP/c1-23(2)21(24)22-25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKeyLUWLVUOCJJBKLU-UHFFFAOYSA-N
XLogP3.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)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

Dimethylamino-triphenylphosphine
CID 19035099
N,N-dimethyl-1-triphenylplumbylformamide
CID 301710
N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine
CID 101121245
Acetamide, N,N-dimethyl-2-(triphenylphosphoranylidene)-
CID 11046257
N-[bromo(triphenyl)-lambda5-phosphanyl]-N-methylmethanamine
CID 14234541
Dimethylamino(triphenyl)phosphanium bromide
CID 19612235
(Triphenyl-phosphanylidene)urea
CID 323223
C23H27ClN2P2
CID 23416421
N-[bis(dimethylamino)-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphanyl]-N-methylmethanamine
CID 23416432
N-[[4-[dimethylamino(phenyl)phosphanyl]phenyl]-phenylphosphanyl]-N-methylmethanamine
CID 15568301
1-Diphenylphosphanyl-1,3-dimethylurea
CID 86209886
N,N-dimethyl-1-triphenylstannylformamide
CID 86221341

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea?
The IUPAC name of 1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea (CID 23417824) is 1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea.
What is the SMILES notation for 1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea?
The canonical SMILES for 1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea is CN(C)C(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea?
The InChIKey is LUWLVUOCJJBKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2OP/c1-23(2)21(24)22-25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3.
What are the key properties of 1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea?
1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea has a molecular weight of 348.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(triphenyl-λ5-phosphanylidene)urea is sourced from PubChem (CID 23417824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).