tritylphosphane;hydrate

C19H19OP — CID 173373221

IUPACtritylphosphane;hydrate
SMILESO.PC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17P.H2O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H,20H2;1H2
InChIKeyHIRXWCWGNYQXNN-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.03
Rot. Bonds3

About tritylphosphane;hydrate

tritylphosphane;hydrate (PubChem CID 173373221) has the molecular formula C19H19OP and a molecular weight of 294.33 g/mol. Its IUPAC name is tritylphosphane;hydrate.

Molecular Properties

Compound Nametritylphosphane;hydrate
PubChem CID173373221
Molecular FormulaC19H19OP
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Nametritylphosphane;hydrate
SMILESO.PC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17P.H2O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H,20H2;1H2
InChIKeyHIRXWCWGNYQXNN-UHFFFAOYSA-N
XLogP4.03
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

[diphenyl(phosphanyl)methyl]phosphane
CID 23002363
[(2-methylphenyl)-diphenylmethyl]phosphane
CID 90111831
[diphenyl(silyl)methyl]phosphane
CID 173204012
methyl 4-[(4-methoxycarbonylphenyl)-phenyl-phosphanylmethyl]benzoate
CID 70401384
1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine
CID 18692483
2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol
CID 23082352
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol
CID 23082358
magnesium;diphenylmethanediamine;hydride;hydrate
CID 174948742
[2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane
CID 87138739
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
1,1,2-triphenylbutylphosphane
CID 19027387

Frequently Asked Questions

What is the IUPAC name of tritylphosphane;hydrate?
The IUPAC name of tritylphosphane;hydrate (CID 173373221) is tritylphosphane;hydrate.
What is the SMILES notation for tritylphosphane;hydrate?
The canonical SMILES for tritylphosphane;hydrate is O.PC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tritylphosphane;hydrate?
The InChIKey is HIRXWCWGNYQXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17P.H2O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H,20H2;1H2.
What are the key properties of tritylphosphane;hydrate?
tritylphosphane;hydrate has a molecular weight of 294.33 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritylphosphane;hydrate is sourced from PubChem (CID 173373221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).