(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid

C26H24O6P2 — CID 23199837

IUPAC(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid
SMILESO=P(O)(O)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C26H24O6P2/c27-33(28,29)25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(34(30,31)32,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,(H2,27,28,29)(H2,30,31,32)
InChIKeyHVTLRJILBVDLNE-UHFFFAOYSA-N
MW494.42 g/mol
LogP5.23
Rot. Bonds7

About (1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid

(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid (PubChem CID 23199837) has the molecular formula C26H24O6P2 and a molecular weight of 494.42 g/mol. Its IUPAC name is (1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid.

Molecular Properties

Compound Name(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid
PubChem CID23199837
Molecular FormulaC26H24O6P2
Molecular Weight494.42 g/mol
Exact Mass494.10
IUPAC Name(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid
SMILESO=P(O)(O)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C26H24O6P2/c27-33(28,29)25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(34(30,31)32,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,(H2,27,28,29)(H2,30,31,32)
InChIKeyHVTLRJILBVDLNE-UHFFFAOYSA-N
XLogP5.23
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.42
LogP ≤ 55.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-amino-2-phenyl-2-phosphonoacetic acid
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bis(1-phenylpropane-1,1-diol);phosphoric acid
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(2-hydroxy-2-phenyl-2-phosphonoethyl)-trimethylazanium
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benzylbenzene;phosphoric acid
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fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid
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phenol;phosphoric acid
CID 157339539
[4-[phenyl-bis[4-(phosphonomethyl)phenyl]methyl]phenyl]methylphosphonic acid
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(4-tritylphenyl) dihydrogen phosphate
CID 154267652
1,1-diphenyl-2-phosphonoethanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of (1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid?
The IUPAC name of (1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid (CID 23199837) is (1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid.
What is the SMILES notation for (1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid?
The canonical SMILES for (1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid is O=P(O)(O)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)P(=O)(O)O.
What is the InChIKey of (1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid?
The InChIKey is HVTLRJILBVDLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O6P2/c27-33(28,29)25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(34(30,31)32,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,(H2,27,28,29)(H2,30,31,32).
What are the key properties of (1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid?
(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid has a molecular weight of 494.42 g/mol, XLogP of 5.23, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid is sourced from PubChem (CID 23199837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).