1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea

C119H176N6O15P12 — CID 165065913

IUPAC1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
SMILESCP(C)(=O)CN(CP(C)(C)=O)C(=O)N(CP(C)(C)=O)CP(C)(C)=O.O=C(N(CP(=O)(C1CCCCC1)C1CCCCC1)CP(=O)(C1CCCCC1)C1CCCCC1)N(CP(=O)(C1CCCCC1)C1CCCCC1)CP(=O)(C1CCCCC1)C1CCCCC1.O=C(N(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1)N(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H96N2O5P4.C53H48N2O5P4.C13H32N2O5P4/c2*56-53(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;1-21(2,17)9-14(10-22(3,4)18)13(16)15(11-23(5,6)19)12-24(7,8)20/h45-52H,1-44H2;1-40H,41-44H2;9-12H2,1-8H3
InChIKeyRYPBONZTZPYSHO-UHFFFAOYSA-N
MW2302.43 g/mol
LogP31.28
Rot. Bonds40

About 1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea

1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea (PubChem CID 165065913) has the molecular formula C119H176N6O15P12 and a molecular weight of 2302.43 g/mol. Its IUPAC name is 1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea.

Molecular Properties

Compound Name1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
PubChem CID165065913
Molecular FormulaC119H176N6O15P12
Molecular Weight2302.43 g/mol
Exact Mass2301.00
IUPAC Name1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
SMILESCP(C)(=O)CN(CP(C)(C)=O)C(=O)N(CP(C)(C)=O)CP(C)(C)=O.O=C(N(CP(=O)(C1CCCCC1)C1CCCCC1)CP(=O)(C1CCCCC1)C1CCCCC1)N(CP(=O)(C1CCCCC1)C1CCCCC1)CP(=O)(C1CCCCC1)C1CCCCC1.O=C(N(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1)N(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H96N2O5P4.C53H48N2O5P4.C13H32N2O5P4/c2*56-53(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;1-21(2,17)9-14(10-22(3,4)18)13(16)15(11-23(5,6)19)12-24(7,8)20/h45-52H,1-44H2;1-40H,41-44H2;9-12H2,1-8H3
InChIKeyRYPBONZTZPYSHO-UHFFFAOYSA-N
XLogP31.28
TPSA275.49 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds40
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002302.43
LogP ≤ 531.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea?
The IUPAC name of 1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea (CID 165065913) is 1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea.
What is the SMILES notation for 1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea?
The canonical SMILES for 1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea is CP(C)(=O)CN(CP(C)(C)=O)C(=O)N(CP(C)(C)=O)CP(C)(C)=O.O=C(N(CP(=O)(C1CCCCC1)C1CCCCC1)CP(=O)(C1CCCCC1)C1CCCCC1)N(CP(=O)(C1CCCCC1)C1CCCCC1)CP(=O)(C1CCCCC1)C1CCCCC1.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(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea?
The InChIKey is RYPBONZTZPYSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H96N2O5P4.C53H48N2O5P4.C13H32N2O5P4/c2*56-53(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;1-21(2,17)9-14(10-22(3,4)18)13(16)15(11-23(5,6)19)12-24(7,8)20/h45-52H,1-44H2;1-40H,41-44H2;9-12H2,1-8H3.
What are the key properties of 1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea?
1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea has a molecular weight of 2302.43 g/mol, XLogP of 31.28, 40 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrakis(dicyclohexylphosphorylmethyl)urea;1,1,3,3-tetrakis(dimethylphosphorylmethyl)urea;1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea is sourced from PubChem (CID 165065913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).