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

C23H25N2PSe — CID 3067412

IUPAC1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane
SMILESCc1ccc(N2CN(c3ccc(C)cc3)CP(=[Se])(c3ccccc3)C2)cc1
InChIInChI=1S/C23H25N2PSe/c1-19-8-12-21(13-9-19)24-16-25(22-14-10-20(2)11-15-22)18-26(27,17-24)23-6-4-3-5-7-23/h3-15H,16-18H2,1-2H3
InChIKeyMLWHDTRDDDZBIE-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.93
Rot. Bonds3

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

1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane (PubChem CID 3067412) has the molecular formula C23H25N2PSe and a molecular weight of 439.40 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane
PubChem CID3067412
Molecular FormulaC23H25N2PSe
Molecular Weight439.40 g/mol
Exact Mass440.09
IUPAC Name1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane
SMILESCc1ccc(N2CN(c3ccc(C)cc3)CP(=[Se])(c3ccccc3)C2)cc1
InChIInChI=1S/C23H25N2PSe/c1-19-8-12-21(13-9-19)24-16-25(22-14-10-20(2)11-15-22)18-26(27,17-24)23-6-4-3-5-7-23/h3-15H,16-18H2,1-2H3
InChIKeyMLWHDTRDDDZBIE-UHFFFAOYSA-N
XLogP4.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-5-selanylidene-1,3,5lambda5-diazaphosphinane?
The IUPAC name of 1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane (CID 3067412) is 1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane.
What is the SMILES notation for 1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane?
The canonical SMILES for 1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane is Cc1ccc(N2CN(c3ccc(C)cc3)CP(=[Se])(c3ccccc3)C2)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane?
The InChIKey is MLWHDTRDDDZBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2PSe/c1-19-8-12-21(13-9-19)24-16-25(22-14-10-20(2)11-15-22)18-26(27,17-24)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-5-selanylidene-1,3,5lambda5-diazaphosphinane?
1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane has a molecular weight of 439.40 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane is sourced from PubChem (CID 3067412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).