4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid

C25H20NO2P — CID 11452277

IUPAC4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid
SMILESO=C(O)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20NO2P/c27-25(28)20-16-18-21(19-17-20)26-29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,(H,27,28)
InChIKeyBNJGYPYEHJPQJH-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.19
Rot. Bonds5

About 4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid

4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid (PubChem CID 11452277) has the molecular formula C25H20NO2P and a molecular weight of 397.41 g/mol. Its IUPAC name is 4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid.

Molecular Properties

Compound Name4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid
PubChem CID11452277
Molecular FormulaC25H20NO2P
Molecular Weight397.41 g/mol
Exact Mass397.12
IUPAC Name4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid
SMILESO=C(O)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20NO2P/c27-25(28)20-16-18-21(19-17-20)26-29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,(H,27,28)
InChIKeyBNJGYPYEHJPQJH-UHFFFAOYSA-N
XLogP5.19
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyldiazenylbenzoic acid
CID 15276
terephthalic acid
CID 160582437
Lithium benzoate, 99%
CID 57451198
CID 87090637
CID 87090637
CID 87293530
CID 87293530
benzoic acid;zirconium
CID 173089080
benzoic acid;trihydrate
CID 157398339
benzoic acid;chromium
CID 139063467
benzoic acid;λ2-plumbane
CID 174927932
cyclodecapentaenecarboxylic acid;methane
CID 162272407
N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline
CID 134935584
chromium;terephthalic acid
CID 87187082

Frequently Asked Questions

What is the IUPAC name of 4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid?
The IUPAC name of 4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid (CID 11452277) is 4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid.
What is the SMILES notation for 4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid?
The canonical SMILES for 4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid is O=C(O)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid?
The InChIKey is BNJGYPYEHJPQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20NO2P/c27-25(28)20-16-18-21(19-17-20)26-29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,(H,27,28).
What are the key properties of 4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid?
4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid has a molecular weight of 397.41 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid is sourced from PubChem (CID 11452277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).