[4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid

C26H20O6P2 — CID 130317683

IUPAC[4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid
SMILESO=P(O)(O)c1ccc(-c2c3ccccc3c(-c3ccc(P(=O)(O)O)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H20O6P2/c27-33(28,29)19-13-9-17(10-14-19)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)18-11-15-20(16-12-18)34(30,31)32/h1-16H,(H2,27,28,29)(H2,30,31,32)
InChIKeyDGDXOSUEQAAXDO-UHFFFAOYSA-N
MW490.39 g/mol
LogP4.93
Rot. Bonds4

About [4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid

[4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid (PubChem CID 130317683) has the molecular formula C26H20O6P2 and a molecular weight of 490.39 g/mol. Its IUPAC name is [4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid
PubChem CID130317683
Molecular FormulaC26H20O6P2
Molecular Weight490.39 g/mol
Exact Mass490.07
IUPAC Name[4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid
SMILESO=P(O)(O)c1ccc(-c2c3ccccc3c(-c3ccc(P(=O)(O)O)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H20O6P2/c27-33(28,29)19-13-9-17(10-14-19)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)18-11-15-20(16-12-18)34(30,31)32/h1-16H,(H2,27,28,29)(H2,30,31,32)
InChIKeyDGDXOSUEQAAXDO-UHFFFAOYSA-N
XLogP4.93
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
phenylphosphonic acid;phosphane
CID 157219344
CID 66766975
CID 66766975
phenylphosphonic acid;terbium
CID 175289814
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
phenylphosphonic acid;toluene
CID 174457204
dimethyl-methylidene-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-λ5-phosphane
CID 158473253
9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene
CID 140947009
9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene
CID 145317230
9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene
CID 146539115
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146

Frequently Asked Questions

What is the IUPAC name of [4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid?
The IUPAC name of [4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid (CID 130317683) is [4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid.
What is the SMILES notation for [4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid?
The canonical SMILES for [4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid is O=P(O)(O)c1ccc(-c2c3ccccc3c(-c3ccc(P(=O)(O)O)cc3)c3ccccc23)cc1.
What is the InChIKey of [4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid?
The InChIKey is DGDXOSUEQAAXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O6P2/c27-33(28,29)19-13-9-17(10-14-19)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)18-11-15-20(16-12-18)34(30,31)32/h1-16H,(H2,27,28,29)(H2,30,31,32).
What are the key properties of [4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid?
[4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid has a molecular weight of 490.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[10-(4-phosphonophenyl)anthracen-9-yl]phenyl]phosphonic acid is sourced from PubChem (CID 130317683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).