tris(diphenyl hydrogen phosphate);phosphane

C36H36O12P4 — CID 172751224

IUPACtris(diphenyl hydrogen phosphate);phosphane
SMILESO=P(O)(Oc1ccccc1)Oc1ccccc1.O=P(O)(Oc1ccccc1)Oc1ccccc1.O=P(O)(Oc1ccccc1)Oc1ccccc1.P
InChIInChI=1S/3C12H11O4P.H3P/c3*13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h3*1-10H,(H,13,14);1H3
InChIKeyKKASYJXHJSSYOO-UHFFFAOYSA-N
MW784.57 g/mol
LogP9.79
Rot. Bonds12

About tris(diphenyl hydrogen phosphate);phosphane

tris(diphenyl hydrogen phosphate);phosphane (PubChem CID 172751224) has the molecular formula C36H36O12P4 and a molecular weight of 784.57 g/mol. Its IUPAC name is tris(diphenyl hydrogen phosphate);phosphane.

Molecular Properties

Compound Nametris(diphenyl hydrogen phosphate);phosphane
PubChem CID172751224
Molecular FormulaC36H36O12P4
Molecular Weight784.57 g/mol
Exact Mass784.12
IUPAC Nametris(diphenyl hydrogen phosphate);phosphane
SMILESO=P(O)(Oc1ccccc1)Oc1ccccc1.O=P(O)(Oc1ccccc1)Oc1ccccc1.O=P(O)(Oc1ccccc1)Oc1ccccc1.P
InChIInChI=1S/3C12H11O4P.H3P/c3*13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h3*1-10H,(H,13,14);1H3
InChIKeyKKASYJXHJSSYOO-UHFFFAOYSA-N
XLogP9.79
TPSA167.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.57
LogP ≤ 59.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
diphenyl hydrogen phosphate;silane
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chloroform;diphenyl hydrogen phosphate
CID 174899919
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
hydroxy phenyl hydrogen phosphate
CID 19103302
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
CID 67592807
phenoxy phenyl hydrogen phosphate
CID 172853202
methane;phenyl phosphono hydrogen phosphate
CID 88820079
dimethyl hydrogen phosphite;diphenyl hydrogen phosphate
CID 161171837
diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene
CID 155318803
diiminoazanium;diphenyl hydrogen phosphate;toluene
CID 174944323

Frequently Asked Questions

What is the IUPAC name of tris(diphenyl hydrogen phosphate);phosphane?
The IUPAC name of tris(diphenyl hydrogen phosphate);phosphane (CID 172751224) is tris(diphenyl hydrogen phosphate);phosphane.
What is the SMILES notation for tris(diphenyl hydrogen phosphate);phosphane?
The canonical SMILES for tris(diphenyl hydrogen phosphate);phosphane is O=P(O)(Oc1ccccc1)Oc1ccccc1.O=P(O)(Oc1ccccc1)Oc1ccccc1.O=P(O)(Oc1ccccc1)Oc1ccccc1.P.
What is the InChIKey of tris(diphenyl hydrogen phosphate);phosphane?
The InChIKey is KKASYJXHJSSYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H11O4P.H3P/c3*13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h3*1-10H,(H,13,14);1H3.
What are the key properties of tris(diphenyl hydrogen phosphate);phosphane?
tris(diphenyl hydrogen phosphate);phosphane has a molecular weight of 784.57 g/mol, XLogP of 9.79, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diphenyl hydrogen phosphate);phosphane is sourced from PubChem (CID 172751224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).