(2-tritylphenyl) dihydrogen phosphite

C25H21O3P — CID 175343429

IUPAC(2-tritylphenyl) dihydrogen phosphite
SMILESOP(O)Oc1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21O3P/c26-29(27)28-24-19-11-10-18-23(24)25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,26-27H
InChIKeyOJYTVJYNJZNXIL-UHFFFAOYSA-N
MW400.41 g/mol
LogP5.66
Rot. Bonds6

About (2-tritylphenyl) dihydrogen phosphite

(2-tritylphenyl) dihydrogen phosphite (PubChem CID 175343429) has the molecular formula C25H21O3P and a molecular weight of 400.41 g/mol. Its IUPAC name is (2-tritylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2-tritylphenyl) dihydrogen phosphite
PubChem CID175343429
Molecular FormulaC25H21O3P
Molecular Weight400.41 g/mol
Exact Mass400.12
IUPAC Name(2-tritylphenyl) dihydrogen phosphite
SMILESOP(O)Oc1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21O3P/c26-29(27)28-24-19-11-10-18-23(24)25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,26-27H
InChIKeyOJYTVJYNJZNXIL-UHFFFAOYSA-N
XLogP5.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.41
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite
CID 174926133
[2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite
CID 175096333
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
bis[2-(2-tritylphenyl)phenyl] carbonate
CID 66925236
S-[3-(2-dihydroxyphosphanyloxyphenyl)-3-methylbutanoyl]sulfanyl 3-(2-dihydroxyphosphanyloxyphenyl)-3-methylbutanethioate
CID 145166399
(2-phenyl-3-tritylphenyl) hydrogen carbonate
CID 66925239
CID 175980360
CID 175980360
(2-chlorophenyl) dihydrogen phosphite
CID 22639248
(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite
CID 154036014
2-dihydroxyphosphanyloxybenzenecarbothioic S-acid
CID 130385293
(2-tert-butylphenoxy)-phenylphosphinous acid
CID 151933242
3-tritylbenzene-1,2-diol
CID 68658229

Frequently Asked Questions

What is the IUPAC name of (2-tritylphenyl) dihydrogen phosphite?
The IUPAC name of (2-tritylphenyl) dihydrogen phosphite (CID 175343429) is (2-tritylphenyl) dihydrogen phosphite.
What is the SMILES notation for (2-tritylphenyl) dihydrogen phosphite?
The canonical SMILES for (2-tritylphenyl) dihydrogen phosphite is OP(O)Oc1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-tritylphenyl) dihydrogen phosphite?
The InChIKey is OJYTVJYNJZNXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21O3P/c26-29(27)28-24-19-11-10-18-23(24)25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,26-27H.
What are the key properties of (2-tritylphenyl) dihydrogen phosphite?
(2-tritylphenyl) dihydrogen phosphite has a molecular weight of 400.41 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tritylphenyl) dihydrogen phosphite is sourced from PubChem (CID 175343429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).