(2-tritylphenyl) dihydrogen phosphate

C25H21O4P — CID 69421021

IUPAC(2-tritylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21O4P/c26-30(27,28)29-24-19-11-10-18-23(24)25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H2,26,27,28)
InChIKeyUAYUUTKJXSVCND-UHFFFAOYSA-N
MW416.41 g/mol
LogP5.54
Rot. Bonds6

About (2-tritylphenyl) dihydrogen phosphate

(2-tritylphenyl) dihydrogen phosphate (PubChem CID 69421021) has the molecular formula C25H21O4P and a molecular weight of 416.41 g/mol. Its IUPAC name is (2-tritylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-tritylphenyl) dihydrogen phosphate
PubChem CID69421021
Molecular FormulaC25H21O4P
Molecular Weight416.41 g/mol
Exact Mass416.12
IUPAC Name(2-tritylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21O4P/c26-30(27,28)29-24-19-11-10-18-23(24)25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H2,26,27,28)
InChIKeyUAYUUTKJXSVCND-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

(4-tritylphenyl) dihydrogen phosphate
CID 154267652
sodium;hydride;2-phosphonooxybenzoic acid
CID 174241105
[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate
CID 68740859
(2-tritylphenyl) dihydrogen phosphite
CID 175343429
bis[2-(2-tritylphenyl)phenyl] carbonate
CID 66925236
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
(2-phenyl-3-tritylphenyl) hydrogen carbonate
CID 66925239
bis[2-(trichloromethyl)phenyl] hydrogen phosphate
CID 87901471
C20H18NaO11P2
CID 156588820
[2-(3-ethyloctan-3-yl)phenyl] dihydrogen phosphate
CID 141453576
(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
8-phosphonooxynaphthalene-1-carboxylic acid
CID 171384485

Frequently Asked Questions

What is the IUPAC name of (2-tritylphenyl) dihydrogen phosphate?
The IUPAC name of (2-tritylphenyl) dihydrogen phosphate (CID 69421021) is (2-tritylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-tritylphenyl) dihydrogen phosphate?
The canonical SMILES for (2-tritylphenyl) dihydrogen phosphate is O=P(O)(O)Oc1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-tritylphenyl) dihydrogen phosphate?
The InChIKey is UAYUUTKJXSVCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21O4P/c26-30(27,28)29-24-19-11-10-18-23(24)25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H2,26,27,28).
What are the key properties of (2-tritylphenyl) dihydrogen phosphate?
(2-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 (2-tritylphenyl) dihydrogen phosphate is sourced from PubChem (CID 69421021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).