1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane

C21H21N2PS — CID 2304969

IUPAC1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane
SMILESS=P1(c2ccccc2)CN(c2ccccc2)CN(c2ccccc2)C1
InChIInChI=1S/C21H21N2PS/c25-24(21-14-8-3-9-15-21)17-22(19-10-4-1-5-11-19)16-23(18-24)20-12-6-2-7-13-20/h1-15H,16-18H2
InChIKeyATGUOSQRZVKNIA-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.69
Rot. Bonds3

About 1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane

1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane (PubChem CID 2304969) has the molecular formula C21H21N2PS and a molecular weight of 364.45 g/mol. Its IUPAC name is 1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane.

Molecular Properties

Compound Name1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane
PubChem CID2304969
Molecular FormulaC21H21N2PS
Molecular Weight364.45 g/mol
Exact Mass364.12
IUPAC Name1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane
SMILESS=P1(c2ccccc2)CN(c2ccccc2)CN(c2ccccc2)C1
InChIInChI=1S/C21H21N2PS/c25-24(21-14-8-3-9-15-21)17-22(19-10-4-1-5-11-19)16-23(18-24)20-12-6-2-7-13-20/h1-15H,16-18H2
InChIKeyATGUOSQRZVKNIA-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane?
The IUPAC name of 1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane (CID 2304969) is 1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane.
What is the SMILES notation for 1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane?
The canonical SMILES for 1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane is S=P1(c2ccccc2)CN(c2ccccc2)CN(c2ccccc2)C1.
What is the InChIKey of 1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane?
The InChIKey is ATGUOSQRZVKNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2PS/c25-24(21-14-8-3-9-15-21)17-22(19-10-4-1-5-11-19)16-23(18-24)20-12-6-2-7-13-20/h1-15H,16-18H2.
What are the key properties of 1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane?
1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane has a molecular weight of 364.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenyl-5-sulfanylidene-1,3,5lambda5-diazaphosphinane is sourced from PubChem (CID 2304969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).