(4-amino-2,3-diphenylanilino)phosphonic acid

C18H17N2O3P — CID 175850211

IUPAC(4-amino-2,3-diphenylanilino)phosphonic acid
SMILESNc1ccc(NP(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H17N2O3P/c19-15-11-12-16(20-24(21,22)23)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12H,19H2,(H3,20,21,22,23)
InChIKeyMCIJEHYIKTWDRD-UHFFFAOYSA-N
MW340.32 g/mol
LogP4.11
Rot. Bonds4

About (4-amino-2,3-diphenylanilino)phosphonic acid

(4-amino-2,3-diphenylanilino)phosphonic acid (PubChem CID 175850211) has the molecular formula C18H17N2O3P and a molecular weight of 340.32 g/mol. Its IUPAC name is (4-amino-2,3-diphenylanilino)phosphonic acid.

Molecular Properties

Compound Name(4-amino-2,3-diphenylanilino)phosphonic acid
PubChem CID175850211
Molecular FormulaC18H17N2O3P
Molecular Weight340.32 g/mol
Exact Mass340.10
IUPAC Name(4-amino-2,3-diphenylanilino)phosphonic acid
SMILESNc1ccc(NP(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H17N2O3P/c19-15-11-12-16(20-24(21,22)23)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12H,19H2,(H3,20,21,22,23)
InChIKeyMCIJEHYIKTWDRD-UHFFFAOYSA-N
XLogP4.11
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-diphenylbenzene-1,2-diamine;phosphoric acid
CID 163364903
(4-amino-2,3-diphenylphenyl)-phenylmethanone
CID 70223924
3-amino-6-(4-amino-2-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenol
CID 139928207
3-amino-N-ethyl-2-phenylbenzamide
CID 171919946
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
(2,3,4-triphenylphenyl)hydrazine
CID 67058028
1,1'-biphenyl;phosphoric acid;piperazine
CID 67592492
2,4,6-trimethyl-3,5-diphenylbenzohydrazide
CID 150299746
7-amino-8-phenylnaphthalen-2-ol
CID 115057649
CID 158293488
CID 158293488
sodium;aniline;hydride;phosphoric acid
CID 175182600

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-diphenylanilino)phosphonic acid?
The IUPAC name of (4-amino-2,3-diphenylanilino)phosphonic acid (CID 175850211) is (4-amino-2,3-diphenylanilino)phosphonic acid.
What is the SMILES notation for (4-amino-2,3-diphenylanilino)phosphonic acid?
The canonical SMILES for (4-amino-2,3-diphenylanilino)phosphonic acid is Nc1ccc(NP(=O)(O)O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (4-amino-2,3-diphenylanilino)phosphonic acid?
The InChIKey is MCIJEHYIKTWDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2O3P/c19-15-11-12-16(20-24(21,22)23)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12H,19H2,(H3,20,21,22,23).
What are the key properties of (4-amino-2,3-diphenylanilino)phosphonic acid?
(4-amino-2,3-diphenylanilino)phosphonic acid has a molecular weight of 340.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-diphenylanilino)phosphonic acid is sourced from PubChem (CID 175850211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).