1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea

C28H26ClN2OP — CID 177392162

IUPAC1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea
SMILESCc1cc(C)c(P(c2ccccc2)c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c(C)c1
InChIInChI=1S/C28H26ClN2OP/c1-19-16-20(2)27(21(3)17-19)33(25-9-5-4-6-10-25)26-11-7-8-24(18-26)31-28(32)30-23-14-12-22(29)13-15-23/h4-18H,1-3H3,(H2,30,31,32)
InChIKeyRGSUTPOJAFUUTL-UHFFFAOYSA-N
MW472.96 g/mol
LogP6.67
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea

1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea (PubChem CID 177392162) has the molecular formula C28H26ClN2OP and a molecular weight of 472.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea
PubChem CID177392162
Molecular FormulaC28H26ClN2OP
Molecular Weight472.96 g/mol
Exact Mass472.15
IUPAC Name1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea
SMILESCc1cc(C)c(P(c2ccccc2)c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c(C)c1
InChIInChI=1S/C28H26ClN2OP/c1-19-16-20(2)27(21(3)17-19)33(25-9-5-4-6-10-25)26-11-7-8-24(18-26)31-28(32)30-23-14-12-22(29)13-15-23/h4-18H,1-3H3,(H2,30,31,32)
InChIKeyRGSUTPOJAFUUTL-UHFFFAOYSA-N
XLogP6.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.96
LogP ≤ 56.67
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-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea (CID 177392162) is 1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea is Cc1cc(C)c(P(c2ccccc2)c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c(C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea?
The InChIKey is RGSUTPOJAFUUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN2OP/c1-19-16-20(2)27(21(3)17-19)33(25-9-5-4-6-10-25)26-11-7-8-24(18-26)31-28(32)30-23-14-12-22(29)13-15-23/h4-18H,1-3H3,(H2,30,31,32).
What are the key properties of 1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea?
1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea has a molecular weight of 472.96 g/mol, XLogP of 6.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[phenyl-(2,4,6-trimethylphenyl)phosphanyl]phenyl]urea is sourced from PubChem (CID 177392162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).