(2-diphenylphosphinothioylphenyl)-phenyldiazene

C24H19N2PS — CID 86072961

IUPAC(2-diphenylphosphinothioylphenyl)-phenyldiazene
SMILESS=P(c1ccccc1)(c1ccccc1)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C24H19N2PS/c28-27(21-14-6-2-7-15-21,22-16-8-3-9-17-22)24-19-11-10-18-23(24)26-25-20-12-4-1-5-13-20/h1-19H/b26-25+
InChIKeyXKZYGYKBYYHLHJ-OCEACIFDSA-N
MW398.47 g/mol
LogP5.86
Rot. Bonds5

About (2-diphenylphosphinothioylphenyl)-phenyldiazene

(2-diphenylphosphinothioylphenyl)-phenyldiazene (PubChem CID 86072961) has the molecular formula C24H19N2PS and a molecular weight of 398.47 g/mol. Its IUPAC name is (2-diphenylphosphinothioylphenyl)-phenyldiazene.

Molecular Properties

Compound Name(2-diphenylphosphinothioylphenyl)-phenyldiazene
PubChem CID86072961
Molecular FormulaC24H19N2PS
Molecular Weight398.47 g/mol
Exact Mass398.10
IUPAC Name(2-diphenylphosphinothioylphenyl)-phenyldiazene
SMILESS=P(c1ccccc1)(c1ccccc1)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C24H19N2PS/c28-27(21-14-6-2-7-15-21,22-16-8-3-9-17-22)24-19-11-10-18-23(24)26-25-20-12-4-1-5-13-20/h1-19H/b26-25+
InChIKeyXKZYGYKBYYHLHJ-OCEACIFDSA-N
XLogP5.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphinothioylphenyl)-phenyldiazene?
The IUPAC name of (2-diphenylphosphinothioylphenyl)-phenyldiazene (CID 86072961) is (2-diphenylphosphinothioylphenyl)-phenyldiazene.
What is the SMILES notation for (2-diphenylphosphinothioylphenyl)-phenyldiazene?
The canonical SMILES for (2-diphenylphosphinothioylphenyl)-phenyldiazene is S=P(c1ccccc1)(c1ccccc1)c1ccccc1/N=N/c1ccccc1.
What is the InChIKey of (2-diphenylphosphinothioylphenyl)-phenyldiazene?
The InChIKey is XKZYGYKBYYHLHJ-OCEACIFDSA-N. The full InChI is InChI=1S/C24H19N2PS/c28-27(21-14-6-2-7-15-21,22-16-8-3-9-17-22)24-19-11-10-18-23(24)26-25-20-12-4-1-5-13-20/h1-19H/b26-25+.
What are the key properties of (2-diphenylphosphinothioylphenyl)-phenyldiazene?
(2-diphenylphosphinothioylphenyl)-phenyldiazene has a molecular weight of 398.47 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphinothioylphenyl)-phenyldiazene is sourced from PubChem (CID 86072961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).