4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine

C26H25N2O2P — CID 4301256

IUPAC4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine
SMILESCC(CCc1ccccc1)=NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C26H25N2O2P/c1-21(17-18-22-11-5-2-6-12-22)27-28-31(29)19-25(23-13-7-3-8-14-23)30-26(20-31)24-15-9-4-10-16-24/h2-16,19-20H,17-18H2,1H3,(H,28,29)
InChIKeyLNDXHNHGFRLLCF-UHFFFAOYSA-N
MW428.47 g/mol
LogP6.89
Rot. Bonds7

About 4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine

4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine (PubChem CID 4301256) has the molecular formula C26H25N2O2P and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine.

Molecular Properties

Compound Name4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine
PubChem CID4301256
Molecular FormulaC26H25N2O2P
Molecular Weight428.47 g/mol
Exact Mass428.17
IUPAC Name4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine
SMILESCC(CCc1ccccc1)=NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C26H25N2O2P/c1-21(17-18-22-11-5-2-6-12-22)27-28-31(29)19-25(23-13-7-3-8-14-23)30-26(20-31)24-15-9-4-10-16-24/h2-16,19-20H,17-18H2,1H3,(H,28,29)
InChIKeyLNDXHNHGFRLLCF-UHFFFAOYSA-N
XLogP6.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine?
The IUPAC name of 4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine (CID 4301256) is 4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine.
What is the SMILES notation for 4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine?
The canonical SMILES for 4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine is CC(CCc1ccccc1)=NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine?
The InChIKey is LNDXHNHGFRLLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N2O2P/c1-21(17-18-22-11-5-2-6-12-22)27-28-31(29)19-25(23-13-7-3-8-14-23)30-26(20-31)24-15-9-4-10-16-24/h2-16,19-20H,17-18H2,1H3,(H,28,29).
What are the key properties of 4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine?
4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine has a molecular weight of 428.47 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine is sourced from PubChem (CID 4301256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).