2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium

C26H22N2O3P+ — CID 85384001

IUPAC2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium
SMILESO=[N+]([O-])c1ccc(O)c(NC=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H21N2O3P/c29-26-17-16-21(28(30)31)20-25(26)27-18-19-32(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-20,27H/p+1
InChIKeyOBCMXZXBIXIFNP-UHFFFAOYSA-O
MW441.45 g/mol
LogP5.18
Rot. Bonds7

About 2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium

2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium (PubChem CID 85384001) has the molecular formula C26H22N2O3P+ and a molecular weight of 441.45 g/mol. Its IUPAC name is 2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium.

Molecular Properties

Compound Name2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium
PubChem CID85384001
Molecular FormulaC26H22N2O3P+
Molecular Weight441.45 g/mol
Exact Mass441.14
IUPAC Name2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium
SMILESO=[N+]([O-])c1ccc(O)c(NC=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H21N2O3P/c29-26-17-16-21(28(30)31)20-25(26)27-18-19-32(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-20,27H/p+1
InChIKeyOBCMXZXBIXIFNP-UHFFFAOYSA-O
XLogP5.18
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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'}

Analyze 2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxy-5-nitroanilino)naphthalene-1,4-dione
CID 177429502
5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
(E)-3-(2-methyl-5-nitroanilino)-1-phenylprop-2-en-1-one
CID 2246969
2-[(2-bromo-3-methylbutyl)amino]-4-nitrophenol
CID 69262864
2-[(2-hydroxyanilino)methyl]-4-nitrophenol
CID 83321921
1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
CID 107745986
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
2-(2-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103602366
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)
CID 91809160
2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 107744593

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium?
The IUPAC name of 2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium (CID 85384001) is 2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium.
What is the SMILES notation for 2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium?
The canonical SMILES for 2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium is O=[N+]([O-])c1ccc(O)c(NC=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium?
The InChIKey is OBCMXZXBIXIFNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H21N2O3P/c29-26-17-16-21(28(30)31)20-25(26)27-18-19-32(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-20,27H/p+1.
What are the key properties of 2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium?
2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium has a molecular weight of 441.45 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-nitroanilino)ethenyl-triphenylphosphanium is sourced from PubChem (CID 85384001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).