1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide

C23H25N2OP — CID 3058097

IUPAC1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
SMILESCc1ccc(N2CN(c3ccc(C)cc3)CP(=O)(c3ccccc3)C2)cc1
InChIInChI=1S/C23H25N2OP/c1-19-8-12-21(13-9-19)24-16-25(22-14-10-20(2)11-15-22)18-27(26,17-24)23-6-4-3-5-7-23/h3-15H,16-18H2,1-2H3
InChIKeyYYULAQOZWKVSII-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.19
Rot. Bonds3

About 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide

1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide (PubChem CID 3058097) has the molecular formula C23H25N2OP and a molecular weight of 376.44 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
PubChem CID3058097
Molecular FormulaC23H25N2OP
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
SMILESCc1ccc(N2CN(c3ccc(C)cc3)CP(=O)(c3ccccc3)C2)cc1
InChIInChI=1S/C23H25N2OP/c1-19-8-12-21(13-9-19)24-16-25(22-14-10-20(2)11-15-22)18-27(26,17-24)23-6-4-3-5-7-23/h3-15H,16-18H2,1-2H3
InChIKeyYYULAQOZWKVSII-UHFFFAOYSA-N
XLogP5.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide?
The IUPAC name of 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide (CID 3058097) is 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide.
What is the SMILES notation for 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide?
The canonical SMILES for 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide is Cc1ccc(N2CN(c3ccc(C)cc3)CP(=O)(c3ccccc3)C2)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide?
The InChIKey is YYULAQOZWKVSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2OP/c1-19-8-12-21(13-9-19)24-16-25(22-14-10-20(2)11-15-22)18-27(26,17-24)23-6-4-3-5-7-23/h3-15H,16-18H2,1-2H3.
What are the key properties of 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide?
1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide has a molecular weight of 376.44 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide is sourced from PubChem (CID 3058097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).