tris(4-hydroxy-2,3-diphenylphenyl) phosphate

C54H39O7P — CID 139835214

IUPACtris(4-hydroxy-2,3-diphenylphenyl) phosphate
SMILESO=P(Oc1ccc(O)c(-c2ccccc2)c1-c1ccccc1)(Oc1ccc(O)c(-c2ccccc2)c1-c1ccccc1)Oc1ccc(O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C54H39O7P/c55-43-31-34-46(52(40-25-13-4-14-26-40)49(43)37-19-7-1-8-20-37)59-62(58,60-47-35-32-44(56)50(38-21-9-2-10-22-38)53(47)41-27-15-5-16-28-41)61-48-36-33-45(57)51(39-23-11-3-12-24-39)54(48)42-29-17-6-18-30-42/h1-36,55-57H
InChIKeyVUULCEAVPIKOKZ-UHFFFAOYSA-N
MW830.87 g/mol
LogP14.45
Rot. Bonds12

About tris(4-hydroxy-2,3-diphenylphenyl) phosphate

tris(4-hydroxy-2,3-diphenylphenyl) phosphate (PubChem CID 139835214) has the molecular formula C54H39O7P and a molecular weight of 830.87 g/mol. Its IUPAC name is tris(4-hydroxy-2,3-diphenylphenyl) phosphate.

Molecular Properties

Compound Nametris(4-hydroxy-2,3-diphenylphenyl) phosphate
PubChem CID139835214
Molecular FormulaC54H39O7P
Molecular Weight830.87 g/mol
Exact Mass830.24
IUPAC Nametris(4-hydroxy-2,3-diphenylphenyl) phosphate
SMILESO=P(Oc1ccc(O)c(-c2ccccc2)c1-c1ccccc1)(Oc1ccc(O)c(-c2ccccc2)c1-c1ccccc1)Oc1ccc(O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C54H39O7P/c55-43-31-34-46(52(40-25-13-4-14-26-40)49(43)37-19-7-1-8-20-37)59-62(58,60-47-35-32-44(56)50(38-21-9-2-10-22-38)53(47)41-27-15-5-16-28-41)61-48-36-33-45(57)51(39-23-11-3-12-24-39)54(48)42-29-17-6-18-30-42/h1-36,55-57H
InChIKeyVUULCEAVPIKOKZ-UHFFFAOYSA-N
XLogP14.45
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.87
LogP ≤ 514.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tris(2,3-diphenyl-4-prop-1-en-2-ylphenyl) phosphate
CID 87935037
dimethyl (4-methyl-2,3-diphenylphenyl) phosphate
CID 176616261
tris(2,3-dihydroxyphenyl) phosphate
CID 141021157
(2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate
CID 150021932
[4-(2-tert-butylphenyl)-2,3-diphenylphenyl] diphenyl phosphate
CID 175192889
(2,5-dihydroxyphenyl) diphenyl phosphate
CID 22481167
tris[2,3-bis(4-hydroxyphenyl)phenyl] phosphate
CID 66816478
2,3-diphenyl-4-sulfanylphenol
CID 87968184
diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate
CID 141462788
(2-hydroxy-5-methylphenyl) diphenyl phosphate
CID 13272252
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate
CID 15162418
2-hydroxy-1-phenylfluoren-9-one
CID 162516784

Frequently Asked Questions

What is the IUPAC name of tris(4-hydroxy-2,3-diphenylphenyl) phosphate?
The IUPAC name of tris(4-hydroxy-2,3-diphenylphenyl) phosphate (CID 139835214) is tris(4-hydroxy-2,3-diphenylphenyl) phosphate.
What is the SMILES notation for tris(4-hydroxy-2,3-diphenylphenyl) phosphate?
The canonical SMILES for tris(4-hydroxy-2,3-diphenylphenyl) phosphate is O=P(Oc1ccc(O)c(-c2ccccc2)c1-c1ccccc1)(Oc1ccc(O)c(-c2ccccc2)c1-c1ccccc1)Oc1ccc(O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of tris(4-hydroxy-2,3-diphenylphenyl) phosphate?
The InChIKey is VUULCEAVPIKOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39O7P/c55-43-31-34-46(52(40-25-13-4-14-26-40)49(43)37-19-7-1-8-20-37)59-62(58,60-47-35-32-44(56)50(38-21-9-2-10-22-38)53(47)41-27-15-5-16-28-41)61-48-36-33-45(57)51(39-23-11-3-12-24-39)54(48)42-29-17-6-18-30-42/h1-36,55-57H.
What are the key properties of tris(4-hydroxy-2,3-diphenylphenyl) phosphate?
tris(4-hydroxy-2,3-diphenylphenyl) phosphate has a molecular weight of 830.87 g/mol, XLogP of 14.45, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-hydroxy-2,3-diphenylphenyl) phosphate is sourced from PubChem (CID 139835214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).