(5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid

C19H14BO4P — CID 155666222

IUPAC(5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid
SMILESO=C1c2ccccc2P(=O)(c2ccccc2)c2cccc(B(O)O)c21
InChIInChI=1S/C19H14BO4P/c21-19-14-9-4-5-11-16(14)25(24,13-7-2-1-3-8-13)17-12-6-10-15(18(17)19)20(22)23/h1-12,22-23H
InChIKeyIQCCRTPUFPHINO-UHFFFAOYSA-N
MW348.10 g/mol
LogP0.55
Rot. Bonds2

About (5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid

(5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid (PubChem CID 155666222) has the molecular formula C19H14BO4P and a molecular weight of 348.10 g/mol. Its IUPAC name is (5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid.

Molecular Properties

Compound Name(5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid
PubChem CID155666222
Molecular FormulaC19H14BO4P
Molecular Weight348.10 g/mol
Exact Mass348.07
IUPAC Name(5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid
SMILESO=C1c2ccccc2P(=O)(c2ccccc2)c2cccc(B(O)O)c21
InChIInChI=1S/C19H14BO4P/c21-19-14-9-4-5-11-16(14)25(24,13-7-2-1-3-8-13)17-12-6-10-15(18(17)19)20(22)23/h1-12,22-23H
InChIKeyIQCCRTPUFPHINO-UHFFFAOYSA-N
XLogP0.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.10
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(9-oxofluoren-4-yl)boronic acid
CID 67270754
6-(deuteriomethyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene 6,14-dioxide;tris(6,14-diphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide);propane
CID 159985686
5-oxo-5-phenylbenzo[b]phosphindole-2,8-disulfonic acid
CID 101209121
2-bromo-5-phenylbenzo[b]phosphindole 5-oxide
CID 134327267
8-phenyl-18,25-diaza-8λ5-phosphahexacyclo[13.12.0.02,7.09,14.016,21.022,27]heptacosa-1(27),2,4,6,9,11,13,15,17,19,21,23,25-tridecaene 8-oxide
CID 155451755
2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide
CID 102415355
[2-(3-phenylphenyl)phenyl]boronic acid
CID 23033858
5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one
CID 157373920
8-phenyl-19-aza-8λ5-phosphahexacyclo[13.12.0.02,7.09,14.016,21.022,27]heptacosa-1(15),2,4,6,9,11,13,16(21),17,19,22,24,26-tridecaene 8-oxide
CID 155451648
3-methyl-1-phenyl-2-propylphosphindole 1-oxide
CID 134842657
2-boronobenzoic acid
CID 2733985
(9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide
CID 139135915

Frequently Asked Questions

What is the IUPAC name of (5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid?
The IUPAC name of (5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid (CID 155666222) is (5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid.
What is the SMILES notation for (5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid?
The canonical SMILES for (5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid is O=C1c2ccccc2P(=O)(c2ccccc2)c2cccc(B(O)O)c21.
What is the InChIKey of (5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid?
The InChIKey is IQCCRTPUFPHINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BO4P/c21-19-14-9-4-5-11-16(14)25(24,13-7-2-1-3-8-13)17-12-6-10-15(18(17)19)20(22)23/h1-12,22-23H.
What are the key properties of (5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid?
(5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid has a molecular weight of 348.10 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid is sourced from PubChem (CID 155666222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).