4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol

C24H18N3O3PS — CID 135501708

IUPAC4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol
SMILESO=[N+]([O-])c1ccc(/N=N/c2cc(P(=S)(c3ccccc3)c3ccccc3)ccc2O)cc1
InChIInChI=1S/C24H18N3O3PS/c28-24-16-15-22(17-23(24)26-25-18-11-13-19(14-12-18)27(29)30)31(32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-17,28H/b26-25+
InChIKeyJBBNTQBSHWNVEP-OCEACIFDSA-N
MW459.47 g/mol
LogP5.47
Rot. Bonds6

About 4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol

4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol (PubChem CID 135501708) has the molecular formula C24H18N3O3PS and a molecular weight of 459.47 g/mol. Its IUPAC name is 4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol
PubChem CID135501708
Molecular FormulaC24H18N3O3PS
Molecular Weight459.47 g/mol
Exact Mass459.08
IUPAC Name4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol
SMILESO=[N+]([O-])c1ccc(/N=N/c2cc(P(=S)(c3ccccc3)c3ccccc3)ccc2O)cc1
InChIInChI=1S/C24H18N3O3PS/c28-24-16-15-22(17-23(24)26-25-18-11-13-19(14-12-18)27(29)30)31(32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-17,28H/b26-25+
InChIKeyJBBNTQBSHWNVEP-OCEACIFDSA-N
XLogP5.47
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.47
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane
CID 71366671
(4-nitrophenyl)-phenyldiazene
CID 17222
2,4,6-trinitrophenol;triphenyl(sulfanylidene)-λ5-phosphane
CID 87917711
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
CID 135789847
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765
2-[2-[2,4-dihydroxy-5-[(4-nitrophenyl)diazenyl]phenyl]ethyl]isoindole-1,3-dione
CID 135474677
6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 177488821
5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 177492854
2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde
CID 155663799
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol?
The IUPAC name of 4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol (CID 135501708) is 4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol.
What is the SMILES notation for 4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol?
The canonical SMILES for 4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol is O=[N+]([O-])c1ccc(/N=N/c2cc(P(=S)(c3ccccc3)c3ccccc3)ccc2O)cc1.
What is the InChIKey of 4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol?
The InChIKey is JBBNTQBSHWNVEP-OCEACIFDSA-N. The full InChI is InChI=1S/C24H18N3O3PS/c28-24-16-15-22(17-23(24)26-25-18-11-13-19(14-12-18)27(29)30)31(32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-17,28H/b26-25+.
What are the key properties of 4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol?
4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol has a molecular weight of 459.47 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol is sourced from PubChem (CID 135501708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).