(4-tritylphenyl) dihydrogen phosphate

C25H21O4P — CID 154267652

IUPAC(4-tritylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H21O4P/c26-30(27,28)29-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,(H2,26,27,28)
InChIKeyOWEDGSZFYKSVCM-UHFFFAOYSA-N
MW416.41 g/mol
LogP5.54
Rot. Bonds6

About (4-tritylphenyl) dihydrogen phosphate

(4-tritylphenyl) dihydrogen phosphate (PubChem CID 154267652) has the molecular formula C25H21O4P and a molecular weight of 416.41 g/mol. Its IUPAC name is (4-tritylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(4-tritylphenyl) dihydrogen phosphate
PubChem CID154267652
Molecular FormulaC25H21O4P
Molecular Weight416.41 g/mol
Exact Mass416.12
IUPAC Name(4-tritylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H21O4P/c26-30(27,28)29-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,(H2,26,27,28)
InChIKeyOWEDGSZFYKSVCM-UHFFFAOYSA-N
XLogP5.54
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.41
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 131875092
CID 131875092
[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate
CID 68675993
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 155895268
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
phenyl dihydrogen phosphate;1-phenylpropane-1,1-diol
CID 174749321
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
C20H18NaO11P2
CID 156588820
cesium phenyl hydrogen phosphate
CID 175568082
(4-methylphenyl) dihydrogen phosphate;1,2-xylene
CID 175436066
[4-[phenyl-bis[4-(phosphonomethyl)phenyl]methyl]phenyl]methylphosphonic acid
CID 91175176

Frequently Asked Questions

What is the IUPAC name of (4-tritylphenyl) dihydrogen phosphate?
The IUPAC name of (4-tritylphenyl) dihydrogen phosphate (CID 154267652) is (4-tritylphenyl) dihydrogen phosphate.
What is the SMILES notation for (4-tritylphenyl) dihydrogen phosphate?
The canonical SMILES for (4-tritylphenyl) dihydrogen phosphate is O=P(O)(O)Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-tritylphenyl) dihydrogen phosphate?
The InChIKey is OWEDGSZFYKSVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21O4P/c26-30(27,28)29-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,(H2,26,27,28).
What are the key properties of (4-tritylphenyl) dihydrogen phosphate?
(4-tritylphenyl) dihydrogen phosphate has a molecular weight of 416.41 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tritylphenyl) dihydrogen phosphate is sourced from PubChem (CID 154267652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).