tris(1,2-diphenylpropan-2-yl) phosphate

C45H45O4P — CID 139725545

IUPACtris(1,2-diphenylpropan-2-yl) phosphate
SMILESCC(Cc1ccccc1)(OP(=O)(OC(C)(Cc1ccccc1)c1ccccc1)OC(C)(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C45H45O4P/c1-43(40-28-16-7-17-29-40,34-37-22-10-4-11-23-37)47-50(46,48-44(2,41-30-18-8-19-31-41)35-38-24-12-5-13-25-38)49-45(3,42-32-20-9-21-33-42)36-39-26-14-6-15-27-39/h4-33H,34-36H2,1-3H3
InChIKeyVWHKGZVYKJEATK-UHFFFAOYSA-N
MW680.83 g/mol
LogP11.62
Rot. Bonds15

About tris(1,2-diphenylpropan-2-yl) phosphate

tris(1,2-diphenylpropan-2-yl) phosphate (PubChem CID 139725545) has the molecular formula C45H45O4P and a molecular weight of 680.83 g/mol. Its IUPAC name is tris(1,2-diphenylpropan-2-yl) phosphate.

Molecular Properties

Compound Nametris(1,2-diphenylpropan-2-yl) phosphate
PubChem CID139725545
Molecular FormulaC45H45O4P
Molecular Weight680.83 g/mol
Exact Mass680.31
IUPAC Nametris(1,2-diphenylpropan-2-yl) phosphate
SMILESCC(Cc1ccccc1)(OP(=O)(OC(C)(Cc1ccccc1)c1ccccc1)OC(C)(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C45H45O4P/c1-43(40-28-16-7-17-29-40,34-37-22-10-4-11-23-37)47-50(46,48-44(2,41-30-18-8-19-31-41)35-38-24-12-5-13-25-38)49-45(3,42-32-20-9-21-33-42)36-39-26-14-6-15-27-39/h4-33H,34-36H2,1-3H3
InChIKeyVWHKGZVYKJEATK-UHFFFAOYSA-N
XLogP11.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
CID 139911356
tris(1,1,3-tribromo-2,2-dimethyl-3,3-diphenylpropyl) phosphate
CID 139650290
1-chloro-4-(2-methoxy-2-phenylpropyl)benzene
CID 132540002
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid
CID 172803061
2-hydroperoxybutan-2-ylbenzene
CID 15510207
[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate
CID 145284155
[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate
CID 141047365
(2-methoxy-2-methylpropyl)benzene
CID 3842751
tris(1,1-diphenyltridecyl) phosphate
CID 87921329
tetrakis(1,2-diphenylbutan-2-yl) silicate
CID 139708431

Frequently Asked Questions

What is the IUPAC name of tris(1,2-diphenylpropan-2-yl) phosphate?
The IUPAC name of tris(1,2-diphenylpropan-2-yl) phosphate (CID 139725545) is tris(1,2-diphenylpropan-2-yl) phosphate.
What is the SMILES notation for tris(1,2-diphenylpropan-2-yl) phosphate?
The canonical SMILES for tris(1,2-diphenylpropan-2-yl) phosphate is CC(Cc1ccccc1)(OP(=O)(OC(C)(Cc1ccccc1)c1ccccc1)OC(C)(Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of tris(1,2-diphenylpropan-2-yl) phosphate?
The InChIKey is VWHKGZVYKJEATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45O4P/c1-43(40-28-16-7-17-29-40,34-37-22-10-4-11-23-37)47-50(46,48-44(2,41-30-18-8-19-31-41)35-38-24-12-5-13-25-38)49-45(3,42-32-20-9-21-33-42)36-39-26-14-6-15-27-39/h4-33H,34-36H2,1-3H3.
What are the key properties of tris(1,2-diphenylpropan-2-yl) phosphate?
tris(1,2-diphenylpropan-2-yl) phosphate has a molecular weight of 680.83 g/mol, XLogP of 11.62, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,2-diphenylpropan-2-yl) phosphate is sourced from PubChem (CID 139725545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).